N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide

C17H25NO3S — CID 94493852

IUPACN-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-2-22(20,21)13-16(19)18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeyINOMYCFZYYPLBH-QGZVFWFLSA-N
MW323.46 g/mol
LogP2.86
Rot. Bonds6

About N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide

N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide (PubChem CID 94493852) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
PubChem CID94493852
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-2-22(20,21)13-16(19)18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeyINOMYCFZYYPLBH-QGZVFWFLSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide 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-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
CID 99842975
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide (CID 94493852) is N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The InChIKey is INOMYCFZYYPLBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-2-22(20,21)13-16(19)18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide has a molecular weight of 323.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 94493852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).