N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide

C23H28N4O4S2 — CID 50841937

About N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide

N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50841937) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
• PubChem CID: 50841937
• Molecular Formula: C23H28N4O4S2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.16
• IUPAC Name: N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
• SMILES: CCOc1ccccc1CNS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1
• InChI: InChI=1S/C23H28N4O4S2/c1-3-31-21-9-5-4-8-18(21)13-24-33(29,30)19-12-20(23-25-17(2)16-32-23)27(14-19)15-22(28)26-10-6-7-11-26/h4-5,8-9,12,14,16,24H,3,6-7,10-11,13,15H2,1-2H3
• InChIKey: GZPFQQPPIPGVOB-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?

The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (CID 50841937) is N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide.

What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?

The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is CCOc1ccccc1CNS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1.

What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?

The InChIKey is GZPFQQPPIPGVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-3-31-21-9-5-4-8-18(21)13-24-33(29,30)19-12-20(23-25-17(2)16-32-23)27(14-19)15-22(28)26-10-6-7-11-26/h4-5,8-9,12,14,16,24H,3,6-7,10-11,13,15H2,1-2H3.

What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?

N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 488.64 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50841937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).