2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide

C15H22N2O3S — CID 119513205

IUPAC2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN1
InChIInChI=1S/C15H22N2O3S/c1-2-10-21(19,20)14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyQJYWPUDYJOXQFE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.35
Rot. Bonds6

About 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119513205) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119513205
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN1
InChIInChI=1S/C15H22N2O3S/c1-2-10-21(19,20)14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyQJYWPUDYJOXQFE-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide 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

2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
2-(2-propylsulfonylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511529
N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
CID 27260765
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 75294143
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119513205) is 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN1.
What is the InChIKey of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is QJYWPUDYJOXQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-10-21(19,20)14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119513205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).