N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

C24H19ClN4O2S — CID 6416594

About N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 6416594) has the molecular formula C24H19ClN4O2S and a molecular weight of 462.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
• PubChem CID: 6416594
• Molecular Formula: C24H19ClN4O2S
• Molecular Weight: 462.96 g/mol
• Exact Mass: 462.09
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1
• InChI: InChI=1S/C24H19ClN4O2S/c1-31-20-13-12-18(25)14-19(20)26-21(30)15-32-24-27-22(16-8-4-2-5-9-16)23(28-29-24)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,26,30)
• InChIKey: ASQKQMZOZUAKIJ-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.96
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 6416594) is N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?

The InChIKey is ASQKQMZOZUAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2S/c1-31-20-13-12-18(25)14-19(20)26-21(30)15-32-24-27-22(16-8-4-2-5-9-16)23(28-29-24)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,26,30).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?

N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 462.96 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6416594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).