N-[2-fluoro-4-(3-methoxyphenyl)phenyl]thiophene-3-carboxamide | 873843-87-9

• 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-[2-fluoro-4-(3-methoxyphenyl)phenyl]thiophene-3-carboxamide
• CAS: 873843-87-9
• 化学式: C₁₈H₁₄FNO₂S
• 分子量: 327.379
• InChiKey: XMDQRKVCIBKJFT-UHFFFAOYSA-N

物化性质

• 沸点：
  393.4±42.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-fluoro-4-(3-methoxyphenyl)phenyl]thiophene-3-carboxamide 在 正丁基锂 作用下， 生成 3-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2,4-dicarboxylic acid
  参考文献：
  名称：

  Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors

  摘要：

  A previously discovered DHODH inhibitor series was further improved by replacing the cyclopentene ring by aromatic heterocycles. Different isomers of these compounds were prepared by the directed ortho-metallation procedure. The compounds are more active than the corresponding cyclopentene analogs and show potent effects on PBMC's proliferation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.011
• 作为产物：
  描述：

  3-噻吩甲酸 生成 N-[2-fluoro-4-(3-methoxyphenyl)phenyl]thiophene-3-carboxamide
  参考文献：
  名称：

  Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors

  摘要：

  A previously discovered DHODH inhibitor series was further improved by replacing the cyclopentene ring by aromatic heterocycles. Different isomers of these compounds were prepared by the directed ortho-metallation procedure. The compounds are more active than the corresponding cyclopentene analogs and show potent effects on PBMC's proliferation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.011