(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide

C17H25NO3S — CID 96532946

IUPAC(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H25NO3S/c1-13(22(2,20)21)17(19)18-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,18,19)/t13-,15-,16-/m1/s1
InChIKeyUJXUGOZKPUXPST-FVQBIDKESA-N
MW323.46 g/mol
LogP2.34
Rot. Bonds5

About (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide

(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide (PubChem CID 96532946) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
PubChem CID96532946
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H25NO3S/c1-13(22(2,20)21)17(19)18-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,18,19)/t13-,15-,16-/m1/s1
InChIKeyUJXUGOZKPUXPST-FVQBIDKESA-N
XLogP2.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide 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-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
CID 119317652
N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
CID 106366596
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001
(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
CID 104983988
3-[(2-benzylcyclopentyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002977
N-[2-(hydroxymethyl)cyclohexyl]-2-phenylmethoxypropanamide
CID 103860401

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide (CID 96532946) is (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide is C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide?
The InChIKey is UJXUGOZKPUXPST-FVQBIDKESA-N. The full InChI is InChI=1S/C17H25NO3S/c1-13(22(2,20)21)17(19)18-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,18,19)/t13-,15-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide?
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 96532946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).