N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C24H20ClN3O5S — CID 46417426

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46417426) has the molecular formula C24H20ClN3O5S and a molecular weight of 497.96 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 46417426
• Molecular Formula: C24H20ClN3O5S
• Molecular Weight: 497.96 g/mol
• Exact Mass: 497.08
• IUPAC Name: N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)no1
• InChI: InChI=1S/C24H20ClN3O5S/c1-15-11-12-16(13-23(15)34(30,31)28-19-9-5-4-8-18(19)25)26-24(29)20-14-22(33-27-20)17-7-3-6-10-21(17)32-2/h3-14,28H,1-2H3,(H,26,29)
• InChIKey: JJKUOPSDBSPMTP-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 110.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.96
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 46417426) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)no1.

What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is JJKUOPSDBSPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5S/c1-15-11-12-16(13-23(15)34(30,31)28-19-9-5-4-8-18(19)25)26-24(29)20-14-22(33-27-20)17-7-3-6-10-21(17)32-2/h3-14,28H,1-2H3,(H,26,29).

What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 497.96 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46417426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).