2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

C24H27ClN4O6S — CID 25049118

About 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 25049118) has the molecular formula C24H27ClN4O6S and a molecular weight of 535.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 25049118
• Molecular Formula: C24H27ClN4O6S
• Molecular Weight: 535.02 g/mol
• Exact Mass: 534.13
• IUPAC Name: 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: NS(=O)(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1
• InChI: InChI=1S/C24H27ClN4O6S/c25-18-3-1-17(2-4-18)15-22(30)28(10-9-27-11-13-35-14-12-27)21-16-23(31)29(24(21)32)19-5-7-20(8-6-19)36(26,33)34/h1-8,21H,9-16H2,(H2,26,33,34)
• InChIKey: QLPBKRDZXUXGIL-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 130.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.02
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
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 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 25049118) is 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is QLPBKRDZXUXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O6S/c25-18-3-1-17(2-4-18)15-22(30)28(10-9-27-11-13-35-14-12-27)21-16-23(31)29(24(21)32)19-5-7-20(8-6-19)36(26,33)34/h1-8,21H,9-16H2,(H2,26,33,34).

What are the key properties of 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?

2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 535.02 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 25049118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).