2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide

C21H19N5O2S2 — CID 56520238

About 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide

2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 56520238) has the molecular formula C21H19N5O2S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 56520238
• Molecular Formula: C21H19N5O2S2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.10
• IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: COc1ccccc1-n1c(SCC(=O)NCc2ccccn2)nnc1-c1cccs1
• InChI: InChI=1S/C21H19N5O2S2/c1-28-17-9-3-2-8-16(17)26-20(18-10-6-12-29-18)24-25-21(26)30-14-19(27)23-13-15-7-4-5-11-22-15/h2-12H,13-14H2,1H3,(H,23,27)
• InChIKey: GSJBSAUFMWSFPH-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (CID 56520238) is 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is COc1ccccc1-n1c(SCC(=O)NCc2ccccn2)nnc1-c1cccs1.

What is the InChIKey of 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is GSJBSAUFMWSFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S2/c1-28-17-9-3-2-8-16(17)26-20(18-10-6-12-29-18)24-25-21(26)30-14-19(27)23-13-15-7-4-5-11-22-15/h2-12H,13-14H2,1H3,(H,23,27).

What are the key properties of 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?

2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 437.55 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 56520238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).