[4-(Thiophene-2-sulfonylamino)-benzyl]-carbamic acid tert-butyl ester | 676463-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-(Thiophene-2-sulfonylamino)-benzyl]-carbamic acid tert-butyl ester
• CAS: 676463-21-1
• 化学式: C₁₆H₂₀N₂O₄S₂
• 分子量: 368.478
• InChiKey: IYLACTLISNCPCF-UHFFFAOYSA-N

物化性质

• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  84.5
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [4-(Thiophene-2-sulfonylamino)-benzyl]-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-[(4-Tert-butylphenyl)methyl]-3-[[4-(thiophen-2-ylsulfonylamino)phenyl]methyl]thiourea
  参考文献：
  名称：

  N-4-Substituted-benzyl-N′-tert-butylbenzyl thioureas as vanilloid receptor ligands: investigation on the role of methanesulfonamido group in antagonistic activity

  摘要：

  A series of N-4-substituted-benzyl-N'-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that not only the two oxygens and amide hydrogen of sulfonamido group, but also the optimal size of methyl in methanesulfonamido group play an integral role for the antagonistic activity on vanilloid receptor. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.019
• 作为产物：
  描述：

  2-噻吩磺酰氯 、 4-(N-BOC-氨甲基)苯胺 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 [4-(Thiophene-2-sulfonylamino)-benzyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  N-4-Substituted-benzyl-N′-tert-butylbenzyl thioureas as vanilloid receptor ligands: investigation on the role of methanesulfonamido group in antagonistic activity

  摘要：

  A series of N-4-substituted-benzyl-N'-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that not only the two oxygens and amide hydrogen of sulfonamido group, but also the optimal size of methyl in methanesulfonamido group play an integral role for the antagonistic activity on vanilloid receptor. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.019