N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide

C24H18FN5OS — CID 53082831

About N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide (PubChem CID 53082831) has the molecular formula C24H18FN5OS and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
• PubChem CID: 53082831
• Molecular Formula: C24H18FN5OS
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.12
• IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2n2c(-c3ccccc3)nnc12
• InChI: InChI=1S/C24H18FN5OS/c1-15-11-12-17(25)13-19(15)26-21(31)14-32-24-23-29-28-22(16-7-3-2-4-8-16)30(23)20-10-6-5-9-18(20)27-24/h2-13H,14H2,1H3,(H,26,31)
• InChIKey: JCDLNARQGRZDMP-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide (CID 53082831) is N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide is Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2n2c(-c3ccccc3)nnc12.

What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

The InChIKey is JCDLNARQGRZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5OS/c1-15-11-12-17(25)13-19(15)26-21(31)14-32-24-23-29-28-22(16-7-3-2-4-8-16)30(23)20-10-6-5-9-18(20)27-24/h2-13H,14H2,1H3,(H,26,31).

What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?

N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-methylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 53082831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).