N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide

C15H22N2O3S — CID 106974512

IUPACN-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCCN1
InChIInChI=1S/C15H22N2O3S/c1-3-8-15(9-5-10-16-15)14(18)17-12-6-4-7-13(11-12)21(2,19)20/h4,6-7,11,16H,3,5,8-10H2,1-2H3,(H,17,18)
InChIKeyJJBHGPVCGRPJDU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds5

About N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide

N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974512) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974512
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCCN1
InChIInChI=1S/C15H22N2O3S/c1-3-8-15(9-5-10-16-15)14(18)17-12-6-4-7-13(11-12)21(2,19)20/h4,6-7,11,16H,3,5,8-10H2,1-2H3,(H,17,18)
InChIKeyJJBHGPVCGRPJDU-UHFFFAOYSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-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-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974512) is N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCCN1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is JJBHGPVCGRPJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-8-15(9-5-10-16-15)14(18)17-12-6-4-7-13(11-12)21(2,19)20/h4,6-7,11,16H,3,5,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide?
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).