2-(4-chlorophenyl)sulfanyl-N-methyl-2-(thiadiazol-4-yl)acetamide | 541500-65-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(4-chlorophenyl)sulfanyl-N-methyl-2-(thiadiazol-4-yl)acetamide
• CAS: 541500-65-6
• 化学式: C₁₁H₁₀ClN₃OS₂
• 分子量: 299.805
• InChiKey: IVYMRUUKILTRQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl)sulfanyl-N-methyl-2-(thiadiazol-4-yl)acetamide 在 双氧水 、 溶剂黄146 作用下， 以87%的产率得到2-(4-chlorophenyl)sulfonyl-N-methyl-2-(thiadiazol-4-yl)acetamide
  参考文献：
  名称：

  Synthesis and antiviral activity against tobacco mosaic virus and 3D-QSAR of α-substituted-1,2,3-thiadiazoleacetamides

  摘要：

  A series of alpha-substituted-1,2,3-thiadiazoleacetamides were prepared and tested in vitro against tobacco mosaic virus. The preliminary bioassays indicated that some of the new compounds are good as compared to the commercial pesticide Virus A at 500 mg/L, and the activity was influenced by the nature of the substituents. 3D-QSAR models were established based on the antiviral activity of the compounds. It has also been found that some of the new compounds also exhibit significant anti-HBV activity in human hepatoblastoma-derived liver Hep-G2 cells. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2006.05.043
• 作为产物：
  描述：

  4-氯苯硫酚 、 α-chloro-N-methyl-1,2,3-thiadiazole-4-acetamide 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以52%的产率得到2-(4-chlorophenyl)sulfanyl-N-methyl-2-(thiadiazol-4-yl)acetamide
  参考文献：
  名称：

  Synthesis and antiviral activity against tobacco mosaic virus and 3D-QSAR of α-substituted-1,2,3-thiadiazoleacetamides

  摘要：

  A series of alpha-substituted-1,2,3-thiadiazoleacetamides were prepared and tested in vitro against tobacco mosaic virus. The preliminary bioassays indicated that some of the new compounds are good as compared to the commercial pesticide Virus A at 500 mg/L, and the activity was influenced by the nature of the substituents. 3D-QSAR models were established based on the antiviral activity of the compounds. It has also been found that some of the new compounds also exhibit significant anti-HBV activity in human hepatoblastoma-derived liver Hep-G2 cells. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2006.05.043

文献信息

• Synthesis and antiviral activity against tobacco mosaic virus and 3D-QSAR of α-substituted-1,2,3-thiadiazoleacetamides
  作者：Wei-Guang Zhao、Jian-Guo Wang、Zheng-Ming Li、Zhao Yang

  DOI：10.1016/j.bmcl.2006.05.043

  日期：2006.12

  A series of alpha-substituted-1,2,3-thiadiazoleacetamides were prepared and tested in vitro against tobacco mosaic virus. The preliminary bioassays indicated that some of the new compounds are good as compared to the commercial pesticide Virus A at 500 mg/L, and the activity was influenced by the nature of the substituents. 3D-QSAR models were established based on the antiviral activity of the compounds. It has also been found that some of the new compounds also exhibit significant anti-HBV activity in human hepatoblastoma-derived liver Hep-G2 cells. (c) 2006 Published by Elsevier Ltd.