2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide

C24H22N4O4S2 — CID 55439339

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide (PubChem CID 55439339) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide
• PubChem CID: 55439339
• Molecular Formula: C24H22N4O4S2
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.11
• IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccnc3SCc3cc(C)on3)cc2)cc1
• InChI: InChI=1S/C24H22N4O4S2/c1-16-5-11-21(12-6-16)34(30,31)28-19-9-7-18(8-10-19)26-23(29)22-4-3-13-25-24(22)33-15-20-14-17(2)32-27-20/h3-14,28H,15H2,1-2H3,(H,26,29)
• InChIKey: ARKSWSGROAAJGI-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide (CID 55439339) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccnc3SCc3cc(C)on3)cc2)cc1.

What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide?

The InChIKey is ARKSWSGROAAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-16-5-11-21(12-6-16)34(30,31)28-19-9-7-18(8-10-19)26-23(29)22-4-3-13-25-24(22)33-15-20-14-17(2)32-27-20/h3-14,28H,15H2,1-2H3,(H,26,29).

What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide?

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55439339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).