N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide

C20H24N2O3S — CID 9153281

IUPACN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24N2O3S/c23-20(16-8-3-1-4-9-16)22-15-19(17-10-7-13-21-14-17)26(24,25)18-11-5-2-6-12-18/h2,5-7,10-14,16,19H,1,3-4,8-9,15H2,(H,22,23)/t19-/m1/s1
InChIKeyBCGDDXBRJTUWAS-LJQANCHMSA-N
MW372.49 g/mol
LogP3.29
Rot. Bonds6

About N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide

N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide (PubChem CID 9153281) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
PubChem CID9153281
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24N2O3S/c23-20(16-8-3-1-4-9-16)22-15-19(17-10-7-13-21-14-17)26(24,25)18-11-5-2-6-12-18/h2,5-7,10-14,16,19H,1,3-4,8-9,15H2,(H,22,23)/t19-/m1/s1
InChIKeyBCGDDXBRJTUWAS-LJQANCHMSA-N
XLogP3.29
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide 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-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide
CID 9154333
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157831
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide
CID 9154296
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 9154047
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157423
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 9159292
N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 7267957
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide (CID 9153281) is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide is O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The InChIKey is BCGDDXBRJTUWAS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(16-8-3-1-4-9-16)22-15-19(17-10-7-13-21-14-17)26(24,25)18-11-5-2-6-12-18/h2,5-7,10-14,16,19H,1,3-4,8-9,15H2,(H,22,23)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9153281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).