N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C27H22N4O2S — CID 1300576

About N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1300576) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 1300576
• Molecular Formula: C27H22N4O2S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.15
• IUPAC Name: N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: COc1ccccc1NC(=O)CSc1nnc(-c2cccc3ccccc23)n1-c1ccccc1
• InChI: InChI=1S/C27H22N4O2S/c1-33-24-17-8-7-16-23(24)28-25(32)18-34-27-30-29-26(31(27)20-12-3-2-4-13-20)22-15-9-11-19-10-5-6-14-21(19)22/h2-17H,18H2,1H3,(H,28,32)
• InChIKey: OCWIINDSNFXDGM-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1300576) is N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nnc(-c2cccc3ccccc23)n1-c1ccccc1.

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

The InChIKey is OCWIINDSNFXDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c1-33-24-17-8-7-16-23(24)28-25(32)18-34-27-30-29-26(31(27)20-12-3-2-4-13-20)22-15-9-11-19-10-5-6-14-21(19)22/h2-17H,18H2,1H3,(H,28,32).

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

N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 466.57 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1300576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).