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

C22H26N4O4S2 — CID 50841909

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

N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50841909) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-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)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
• PubChem CID: 50841909
• Molecular Formula: C22H26N4O4S2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.14
• IUPAC Name: N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
• SMILES: CCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1
• InChI: InChI=1S/C22H26N4O4S2/c1-3-30-20-9-5-4-8-18(20)24-32(28,29)17-12-19(22-23-16(2)15-31-22)26(13-17)14-21(27)25-10-6-7-11-25/h4-5,8-9,12-13,15,24H,3,6-7,10-11,14H2,1-2H3
• InChIKey: OJQKOUMDSKBSNB-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-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)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (CID 50841909) is N-(2-ethoxyphenyl)-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)-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)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1.

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

The InChIKey is OJQKOUMDSKBSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-3-30-20-9-5-4-8-18(20)24-32(28,29)17-12-19(22-23-16(2)15-31-22)26(13-17)14-21(27)25-10-6-7-11-25/h4-5,8-9,12-13,15,24H,3,6-7,10-11,14H2,1-2H3.

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

N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 474.61 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50841909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).