N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C16H24N2O3S — CID 51240453

IUPACN-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H24N2O3S/c1-4-11-22(20,21)18-10-6-9-15(18)16(19)17-14-8-5-7-12(2)13(14)3/h5,7-8,15H,4,6,9-11H2,1-3H3,(H,17,19)
InChIKeyCEGPMCAZEIAYDJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.45
Rot. Bonds5

About N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51240453) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID51240453
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H24N2O3S/c1-4-11-22(20,21)18-10-6-9-15(18)16(19)17-14-8-5-7-12(2)13(14)3/h5,7-8,15H,4,6,9-11H2,1-3H3,(H,17,19)
InChIKeyCEGPMCAZEIAYDJ-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-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

1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43926596
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 1143211
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 75392222
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide
CID 45353186
N-[3-(5-methyltetrazol-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55679425

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 51240453) is N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is CEGPMCAZEIAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-11-22(20,21)18-10-6-9-15(18)16(19)17-14-8-5-7-12(2)13(14)3/h5,7-8,15H,4,6,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51240453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).