(2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

C24H22N4O2S2 — CID 41156106

About (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

(2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide (PubChem CID 41156106) has the molecular formula C24H22N4O2S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
• PubChem CID: 41156106
• Molecular Formula: C24H22N4O2S2
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.12
• IUPAC Name: (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
• SMILES: COc1ccccc1-n1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccs1
• InChI: InChI=1S/C24H22N4O2S2/c1-30-19-11-6-5-10-18(19)28-22(20-12-7-15-31-20)26-27-24(28)32-21(16-8-3-2-4-9-16)23(29)25-17-13-14-17/h2-12,15,17,21H,13-14H2,1H3,(H,25,29)/t21-/m1/s1
• InChIKey: FFZSEUATHVJVJF-OAQYLSRUSA-N
• XLogP: 5.12
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide (CID 41156106) is (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide.

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

The canonical SMILES for (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide is COc1ccccc1-n1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccs1.

What is the InChIKey of (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?

The InChIKey is FFZSEUATHVJVJF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22N4O2S2/c1-30-19-11-6-5-10-18(19)28-22(20-12-7-15-31-20)26-27-24(28)32-21(16-8-3-2-4-9-16)23(29)25-17-13-14-17/h2-12,15,17,21H,13-14H2,1H3,(H,25,29)/t21-/m1/s1.

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

(2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 462.60 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 41156106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).