N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide

C20H17N5O2S — CID 53043286

About N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide

N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide (PubChem CID 53043286) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
• PubChem CID: 53043286
• Molecular Formula: C20H17N5O2S
• Molecular Weight: 391.46 g/mol
• Exact Mass: 391.11
• IUPAC Name: N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
• SMILES: CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1
• InChI: InChI=1S/C20H17N5O2S/c1-12(26)14-7-9-15(10-8-14)21-18(27)11-28-20-19-24-23-13(2)25(19)17-6-4-3-5-16(17)22-20/h3-10H,11H2,1-2H3,(H,21,27)
• InChIKey: KMDJHSPYNUAZLJ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.46
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

The IUPAC name of N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide (CID 53043286) is N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

The canonical SMILES for N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1.

What is the InChIKey of N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

The InChIKey is KMDJHSPYNUAZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12(26)14-7-9-15(10-8-14)21-18(27)11-28-20-19-24-23-13(2)25(19)17-6-4-3-5-16(17)22-20/h3-10H,11H2,1-2H3,(H,21,27).

What are the key properties of N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide has a molecular weight of 391.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 53043286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).