N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

C25H25N3O7S — CID 25043221

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (PubChem CID 25043221) has the molecular formula C25H25N3O7S and a molecular weight of 511.56 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 25043221
• Molecular Formula: C25H25N3O7S
• Molecular Weight: 511.56 g/mol
• Exact Mass: 511.14
• IUPAC Name: N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
• SMILES: CCOc1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)c3ccco3)C2=O)cc1
• InChI: InChI=1S/C25H25N3O7S/c1-2-34-19-9-7-18(8-10-19)28-23(29)16-21(24(28)30)27(25(31)22-4-3-15-35-22)14-13-17-5-11-20(12-6-17)36(26,32)33/h3-12,15,21H,2,13-14,16H2,1H3,(H2,26,32,33)
• InChIKey: WAJRCSPGCDFVCL-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 140.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.56
LogP ≤ 5	2.34
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 N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?

The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (CID 25043221) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?

The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is CCOc1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)c3ccco3)C2=O)cc1.

What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?

The InChIKey is WAJRCSPGCDFVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O7S/c1-2-34-19-9-7-18(8-10-19)28-23(29)16-21(24(28)30)27(25(31)22-4-3-15-35-22)14-13-17-5-11-20(12-6-17)36(26,32)33/h3-12,15,21H,2,13-14,16H2,1H3,(H2,26,32,33).

What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 511.56 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 25043221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).