3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C19H19N3O5S — CID 30782510

About 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 30782510) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 30782510
• Molecular Formula: C19H19N3O5S
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.10
• IUPAC Name: 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
• SMILES: Cc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1N1CCCC1=O
• InChI: InChI=1S/C19H19N3O5S/c1-12-10-13(5-7-15(12)22-9-3-4-18(22)23)20-28(25,26)14-6-8-16-17(11-14)27-19(24)21(16)2/h5-8,10-11,20H,3-4,9H2,1-2H3
• InChIKey: JFGIFQIJTQLEKU-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 30782510) is 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1N1CCCC1=O.

What is the InChIKey of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

The InChIKey is JFGIFQIJTQLEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-10-13(5-7-15(12)22-9-3-4-18(22)23)20-28(25,26)14-6-8-16-17(11-14)27-19(24)21(16)2/h5-8,10-11,20H,3-4,9H2,1-2H3.

What are the key properties of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 401.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 30782510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).