2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide

C26H20N4OS — CID 1023204

About 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 1023204) has the molecular formula C26H20N4OS and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
• PubChem CID: 1023204
• Molecular Formula: C26H20N4OS
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.14
• IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
• SMILES: O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc2ccccc12
• InChI: InChI=1S/C26H20N4OS/c31-24(27-23-17-9-13-19-10-7-8-16-22(19)23)18-32-26-29-28-25(20-11-3-1-4-12-20)30(26)21-14-5-2-6-15-21/h1-17H,18H2,(H,27,31)
• InChIKey: XIRWVKJGPPHNCX-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?

The IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide (CID 1023204) is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

What is the SMILES notation for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?

The canonical SMILES for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide is O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc2ccccc12.

What is the InChIKey of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?

The InChIKey is XIRWVKJGPPHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS/c31-24(27-23-17-9-13-19-10-7-8-16-22(19)23)18-32-26-29-28-25(20-11-3-1-4-12-20)30(26)21-14-5-2-6-15-21/h1-17H,18H2,(H,27,31).

What are the key properties of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 436.54 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1023204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).