4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C20H23N3O4S — CID 24978665

IUPAC4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4S/c24-19-8-4-14-23(19)15-5-13-21-20(25)16-9-11-17(12-10-16)22-28(26,27)18-6-2-1-3-7-18/h1-3,6-7,9-12,22H,4-5,8,13-15H2,(H,21,25)
InChIKeyHYHDNWAQBQIVFC-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.23
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 24978665) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID24978665
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4S/c24-19-8-4-14-23(19)15-5-13-21-20(25)16-9-11-17(12-10-16)22-28(26,27)18-6-2-1-3-7-18/h1-3,6-7,9-12,22H,4-5,8,13-15H2,(H,21,25)
InChIKeyHYHDNWAQBQIVFC-UHFFFAOYSA-N
XLogP2.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 24978665) is 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is O=C(NCCCN1CCCC1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is HYHDNWAQBQIVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c24-19-8-4-14-23(19)15-5-13-21-20(25)16-9-11-17(12-10-16)22-28(26,27)18-6-2-1-3-7-18/h1-3,6-7,9-12,22H,4-5,8,13-15H2,(H,21,25).
What are the key properties of 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 24978665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).