N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide

C25H22N4O4S — CID 50823113

IUPACN-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(N2CC(c3nc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)no3)CC2=O)cc1
InChIInChI=1S/C25H22N4O4S/c1-17-7-13-21(14-8-17)29-16-19(15-23(29)30)25-26-24(27-33-25)18-9-11-20(12-10-18)28-34(31,32)22-5-3-2-4-6-22/h2-14,19,28H,15-16H2,1H3
InChIKeyWKPQCQLAQJADHV-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.37
Rot. Bonds6

About N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide

N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide (PubChem CID 50823113) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
PubChem CID50823113
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC NameN-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(N2CC(c3nc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)no3)CC2=O)cc1
InChIInChI=1S/C25H22N4O4S/c1-17-7-13-21(14-8-17)29-16-19(15-23(29)30)25-26-24(27-33-25)18-9-11-20(12-10-18)28-34(31,32)22-5-3-2-4-6-22/h2-14,19,28H,15-16H2,1H3
InChIKeyWKPQCQLAQJADHV-UHFFFAOYSA-N
XLogP4.37
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide 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 N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide (CID 50823113) is N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide is Cc1ccc(N2CC(c3nc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)no3)CC2=O)cc1.
What is the InChIKey of N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
The InChIKey is WKPQCQLAQJADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-17-7-13-21(14-8-17)29-16-19(15-23(29)30)25-26-24(27-33-25)18-9-11-20(12-10-18)28-34(31,32)22-5-3-2-4-6-22/h2-14,19,28H,15-16H2,1H3.
What are the key properties of N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide has a molecular weight of 474.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 50823113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).