N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C22H18ClN3O5S2 — CID 25039680

About N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide

N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 25039680) has the molecular formula C22H18ClN3O5S2 and a molecular weight of 503.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 25039680
• Molecular Formula: C22H18ClN3O5S2
• Molecular Weight: 503.99 g/mol
• Exact Mass: 503.04
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
• SMILES: NS(=O)(=O)c1ccc(N2C(=O)CC(N(Cc3ccccc3Cl)C(=O)c3cccs3)C2=O)cc1
• InChI: InChI=1S/C22H18ClN3O5S2/c23-17-5-2-1-4-14(17)13-25(22(29)19-6-3-11-32-19)18-12-20(27)26(21(18)28)15-7-9-16(10-8-15)33(24,30)31/h1-11,18H,12-13H2,(H2,24,30,31)
• InChIKey: HZCPCUCMGAUSFW-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 117.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.99
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 25039680) is N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(Cc3ccccc3Cl)C(=O)c3cccs3)C2=O)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide?

The InChIKey is HZCPCUCMGAUSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S2/c23-17-5-2-1-4-14(17)13-25(22(29)19-6-3-11-32-19)18-12-20(27)26(21(18)28)15-7-9-16(10-8-15)33(24,30)31/h1-11,18H,12-13H2,(H2,24,30,31).

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

N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 503.99 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 25039680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).