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

C22H26N4O5S2 — CID 50841803

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

N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50841803) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
• PubChem CID: 50841803
• Molecular Formula: C22H26N4O5S2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.13
• IUPAC Name: N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
• SMILES: COc1cc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)cc(OC)c1
• InChI: InChI=1S/C22H26N4O5S2/c1-15-14-32-22(23-15)20-11-19(12-26(20)13-21(27)25-6-4-5-7-25)33(28,29)24-16-8-17(30-2)10-18(9-16)31-3/h8-12,14,24H,4-7,13H2,1-3H3
• InChIKey: BYCWZJGIUHRQRT-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (CID 50841803) is N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is COc1cc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)cc(OC)c1.

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

The InChIKey is BYCWZJGIUHRQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-15-14-32-22(23-15)20-11-19(12-26(20)13-21(27)25-6-4-5-7-25)33(28,29)24-16-8-17(30-2)10-18(9-16)31-3/h8-12,14,24H,4-7,13H2,1-3H3.

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

N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 490.61 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50841803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).