1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide

C32H36N4O5S — CID 17081888

IUPAC1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4ccc(S(=O)(=O)NCCc5ccccc5)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C32H36N4O5S/c1-23-7-11-28(12-8-23)36-22-26(21-30(36)37)32(39)35-19-16-25(17-20-35)31(38)34-27-9-13-29(14-10-27)42(40,41)33-18-15-24-5-3-2-4-6-24/h2-14,25-26,33H,15-22H2,1H3,(H,34,38)
InChIKeyDEHODKFSHNNHKX-UHFFFAOYSA-N
MW588.73 g/mol
LogP3.75
Rot. Bonds9

About 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 17081888) has the molecular formula C32H36N4O5S and a molecular weight of 588.73 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID17081888
Molecular FormulaC32H36N4O5S
Molecular Weight588.73 g/mol
Exact Mass588.24
IUPAC Name1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4ccc(S(=O)(=O)NCCc5ccccc5)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C32H36N4O5S/c1-23-7-11-28(12-8-23)36-22-26(21-30(36)37)32(39)35-19-16-25(17-20-35)31(38)34-27-9-13-29(14-10-27)42(40,41)33-18-15-24-5-3-2-4-6-24/h2-14,25-26,33H,15-22H2,1H3,(H,34,38)
InChIKeyDEHODKFSHNNHKX-UHFFFAOYSA-N
XLogP3.75
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.73
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081880
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41002442
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 40964120
N-[4-(diethylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081891
N-[4-(acetylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118694
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 17081878
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
N-[4-(tert-butylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118743
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 17081884
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 17081888) is 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide is Cc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4ccc(S(=O)(=O)NCCc5ccccc5)cc4)CC3)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is DEHODKFSHNNHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O5S/c1-23-7-11-28(12-8-23)36-22-26(21-30(36)37)32(39)35-19-16-25(17-20-35)31(38)34-27-9-13-29(14-10-27)42(40,41)33-18-15-24-5-3-2-4-6-24/h2-14,25-26,33H,15-22H2,1H3,(H,34,38).
What are the key properties of 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 588.73 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17081888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).