N-<(1-ethyl-2-pyrrolidinyl)methyl>-2-methoxy-4-methyl-5-<(tert-butylsulfamoyl)methylamino>benzamide | 90763-41-0

• 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: N-<(1-ethyl-2-pyrrolidinyl)methyl>-2-methoxy-4-methyl-5-<(tert-butylsulfamoyl)methylamino>benzamide
• 英文别名: N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-4-methyl-5-[(tert-butylsulfamoyl)methylamino]benzamide
• CAS: 90763-41-0
• 化学式: C₂₁H₃₆N₄O₄S
• 分子量: 440.607
• InChiKey: KEYQDSBVRIWVJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  90.98
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-<(1-ethyl-2-pyrrolidinyl)methyl>-2-methoxy-4-methyl-5-<(tert-butylsulfamoyl)methylamino>benzamide 在 三氟乙酸 作用下， 生成 Benzamide, 5-((aminosulfonyl)methylamino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-methyl-
  参考文献：
  名称：

  Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides

  摘要：

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00375a009
• 作为产物：
  描述：

  2-methoxy-4-methyl-5-nitrobenzoic acid 在 盐酸 、 tin 、 氯化亚砜 、 sodium hydride 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.5h， 生成 N-<(1-ethyl-2-pyrrolidinyl)methyl>-2-methoxy-4-methyl-5-<(tert-butylsulfamoyl)methylamino>benzamide
  参考文献：
  名称：

  Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides

  摘要：

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00375a009