N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide

C24H24N2O6S2 — CID 23886722

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide (PubChem CID 23886722) has the molecular formula C24H24N2O6S2 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
• PubChem CID: 23886722
• Molecular Formula: C24H24N2O6S2
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.11
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
• SMILES: COc1ccc(CCN(C2CC(=O)N(c3ccccc3)C2=O)S(=O)(=O)c2cccs2)cc1OC
• InChI: InChI=1S/C24H24N2O6S2/c1-31-20-11-10-17(15-21(20)32-2)12-13-25(34(29,30)23-9-6-14-33-23)19-16-22(27)26(24(19)28)18-7-4-3-5-8-18/h3-11,14-15,19H,12-13,16H2,1-2H3
• InChIKey: QWIJABOUOAMUJR-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 93.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide (CID 23886722) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide is COc1ccc(CCN(C2CC(=O)N(c3ccccc3)C2=O)S(=O)(=O)c2cccs2)cc1OC.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?

The InChIKey is QWIJABOUOAMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S2/c1-31-20-11-10-17(15-21(20)32-2)12-13-25(34(29,30)23-9-6-14-33-23)19-16-22(27)26(24(19)28)18-7-4-3-5-8-18/h3-11,14-15,19H,12-13,16H2,1-2H3.

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 500.60 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 23886722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).