3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester | 914780-25-9

分子结构分类

有机化合物 - 有机杂环化合物

中文名称

——

中文别名

——

英文名称

3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

英文别名

methyl 3-((1r,4r)-4-methyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexanecarboxamido)thiophene-2-carboxylate

3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester化学式

CAS

914780-25-9

化学式

C₂₂H₃₁NO₅S

mdl

——

分子量

421.558

InChiKey

JGHMTFPYGOMSIB-WKILWMFISA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

580.4±50.0 °C(Predicted)
密度：

1.24±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.38
重原子数：

29.0
可旋转键数：

4.0
环数：

4.0
sp3杂化的碳原子比例：

0.73
拓扑面积：

65.07
氢给体数：

0.0
氢受体数：

6.0

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	3-(1,4-dioxa-spiro[4.5]dec-8-ylamino)-thiophene-2-carboxylic acid methyl ester	914780-24-8	C₁₄H₁₉NO₄S	297.375

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 3-((1r,4R)-N-((1r,4R)-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylate	914780-54-4	C₂₀H₂₉NO₄S	379.521
——	3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(trans-4-methyl-cyclo-hexanecarbonyl)-amino]-5-iodo-thiophene-2-carboxylic acid methyl ester	1026785-65-8	C₂₂H₃₀INO₅S	547.454
——	methyl 3-((1r,4r)-4-methyl-N-(4-oxocyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1432618-76-2	C₂₀H₂₇NO₄S	377.505
——	5-(3,3-dimethyl-but-1-ynyl)-3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester	1026785-66-9	C₂₈H₃₉NO₅S	501.687
——	methyl 3-((1r,4R)-N-((1r,4R)-4-(tert-butyldimethylsilyloxy)cyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylate	1485469-39-3	C₂₆H₄₃NO₄SSi	493.783
——	methyl 5-iodo-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(tetrahydrofuran-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1314006-31-9	C₂₄H₃₄INO₅S	575.508
——	methyl 3-(N-((1s,4s)-4-(1,3-dihydroxypropan-2-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate	1263102-02-8	C₂₉H₄₃NO₆S	533.73
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylate	1263102-03-9	C₂₉H₄₁NO₅S	515.714
——	methyl 3-((1r,4R)-N-((1s,4S)-4-((1,3-dioxan-5-yl)oxy)cyclohexyl)-4-methylcyclohexane-1-carboxamido)-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylate	1314019-73-2	C₃₀H₄₃NO₆S	545.741
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(tetrahydro-2H-pyran-4-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1263101-06-9	C₃₁H₄₅NO₅S	543.768
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(tetrahydro-2Hpyran-4-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1263101-07-0	C₃₁H₄₅NO₅S	543.768
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(tetrahydrofuran-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1485470-13-0	C₃₀H₄₃NO₅S	529.741
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(tetrahydrofuran-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1485470-16-3	C₃₀H₄₃NO₅S	529.741
——	methyl 5-iodo-3-((1r,4r)-4-methyl-N-(4-oxocyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1026785-80-7	C₂₀H₂₆INO₄S	503.401
——	methyl 5-(5-hydroxy-3,3-dimethylpent-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(tetrahydrofuran-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1263101-49-0	C₃₁H₄₅NO₆S	559.767
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-N-((1s,4S)-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylate	1418215-07-2	C₂₆H₃₇NO₄S	459.65
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate	1026785-63-6	C₂₆H₃₇NO₄S	459.65
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4r)-4-methyl-N-(1-oxaspiro[2.5]octan-6-yl)cyclohexanecarboxamido)thiophene-2-carboxylate	1314795-23-7	C₂₇H₃₇NO₄S	471.661
——	5-cyclohex-2-enyl-3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester	914780-75-9	C₂₈H₃₉NO₅S	501.687
——	methyl 3-((1r,4R)-N-((1r,4R)-4-(tert-butyldimethylsilyloxy)cyclohexyl)-4-methylcyclohexanecarboxamido)-5-iodothiophene-2-carboxylate	1263101-57-0	C₂₆H₄₂INO₄SSi	619.68
——	5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid	1263102-01-7	C₂₈H₃₉NO₅S	501.687
——	5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(tetrahydrofuran-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid	1263101-11-6	C₂₉H₄₁NO₅S	515.714
——	5-(3,3-dimethylbut-1-yn-1-yl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-((tetrahydro-2H-pyran-4-yl)oxy)cyclohexyl)cyclohexane-1-carboxamido)thiophene-2-carboxylic acid	1263101-04-7	C₃₀H₄₃NO₅S	529.741
——	3-[(1,4-dioxa-spiro[4.5]dec-8-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-5-(1-hydroxy-4,4-dimethyl-cyclohexyl)-thiophene-2-carboxylic acid methyl ester	914780-26-0	C₃₀H₄₅NO₆S	547.756
——	5-(5-hydroxy-3,3-dimethylpent-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(tetrahydrofuran-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid	1263102-85-7	C₃₀H₄₃NO₆S	545.741
——	5-(3,3-dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-(4-oxo-cyclohexyl)-amino]-thiophene-2-carboxylic acid methyl ester	1026785-67-0	C₂₆H₃₅NO₄S	457.634
——	5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid	1026785-55-6	C₂₅H₃₅NO₄S	445.623
5-(3,3-二甲基-1-丁炔-1-基)-3-(N-(4-羟基环己基)-4-甲基环己烷羧酰胺)噻吩-2-羧酸	5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid	1026785-55-6	C₂₅H₃₅NO₄S	445.623
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(pyridin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1485470-01-6	C₃₁H₄₀N₂O₄S	536.736
——	methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(4-nitrobenzoyloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylate	1485470-06-1	C₃₃H₄₀N₂O₇S	608.756