N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide

C17H26N2O3S — CID 110823020

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-10-16(11-13-19)18-17(20)9-8-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyCCVIWHQKUKSPDE-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.86
Rot. Bonds6

About N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide

N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide (PubChem CID 110823020) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
PubChem CID110823020
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-10-16(11-13-19)18-17(20)9-8-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyCCVIWHQKUKSPDE-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide 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-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
CID 62365696
N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
CID 66186748
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-methylphenyl)propanamide
CID 133113007
1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
CID 110638075
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide (CID 110823020) is N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide is CCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is CCVIWHQKUKSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-10-16(11-13-19)18-17(20)9-8-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide?
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 338.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110823020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).