N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide

C27H28N4O6S — CID 25039679

About N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide

N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 25039679) has the molecular formula C27H28N4O6S and a molecular weight of 536.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide
• PubChem CID: 25039679
• Molecular Formula: C27H28N4O6S
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.17
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide
• SMILES: NS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3ccco3)C3CCN(Cc4ccccc4)CC3)C2=O)cc1
• InChI: InChI=1S/C27H28N4O6S/c28-38(35,36)22-10-8-20(9-11-22)31-25(32)17-23(26(31)33)30(27(34)24-7-4-16-37-24)21-12-14-29(15-13-21)18-19-5-2-1-3-6-19/h1-11,16,21,23H,12-15,17-18H2,(H2,28,35,36)
• InChIKey: UHEODVMWVNDILJ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 134.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	2.37
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-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide (CID 25039679) is N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide.

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

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3ccco3)C3CCN(Cc4ccccc4)CC3)C2=O)cc1.

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

The InChIKey is UHEODVMWVNDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S/c28-38(35,36)22-10-8-20(9-11-22)31-25(32)17-23(26(31)33)30(27(34)24-7-4-16-37-24)21-12-14-29(15-13-21)18-19-5-2-1-3-6-19/h1-11,16,21,23H,12-15,17-18H2,(H2,28,35,36).

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

N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 536.61 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 25039679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).