N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

C13H19N3O3S — CID 43233916

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C2CCCN2)ccc1C
InChIInChI=1S/C13H19N3O3S/c1-9-5-6-10(8-12(9)20(18,19)14-2)16-13(17)11-4-3-7-15-11/h5-6,8,11,14-15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHINCSNCWNWWGQB-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.59
Rot. Bonds4

About N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43233916) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID43233916
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C2CCCN2)ccc1C
InChIInChI=1S/C13H19N3O3S/c1-9-5-6-10(8-12(9)20(18,19)14-2)16-13(17)11-4-3-7-15-11/h5-6,8,11,14-15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHINCSNCWNWWGQB-UHFFFAOYSA-N
XLogP0.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-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-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263693
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119265955
N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide
CID 119263645
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270677
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (CID 43233916) is N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is CNS(=O)(=O)c1cc(NC(=O)C2CCCN2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is HINCSNCWNWWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-5-6-10(8-12(9)20(18,19)14-2)16-13(17)11-4-3-7-15-11/h5-6,8,11,14-15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43233916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).