I+/--[[(Dimethylamino)sulfonyl]amino]-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]benzeneacetamide | 1008498-19-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: I+/--[[(Dimethylamino)sulfonyl]amino]-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]benzeneacetamide
• 英文别名: 2-(dimethylsulfamoylamino)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-phenylacetamide
• CAS: 1008498-19-8
• 化学式: C₂₂H₂₇N₃O₅S
• 分子量: 445.539
• InChiKey: JGDKWEOBOJWPNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 二甲胺基磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 I+/--[[(Dimethylamino)sulfonyl]amino]-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]benzeneacetamide
  参考文献：
  名称：

  Multicomponent reactions in fungicide research: The discovery of mandipropamid

  摘要：

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.019

文献信息

• Multicomponent reactions in fungicide research: The discovery of mandipropamid
  作者：Clemens Lamberth、Andre Jeanguenat、Fredrik Cederbaum、Alain De Mesmaeker、Martin Zeller、Hans-Joachim Kempf、Ronald Zeun

  DOI：10.1016/j.bmc.2007.10.019

  日期：2008.2.1

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.