N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide

C21H25NO3S — CID 9184612

IUPACN-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H25NO3S/c23-21(18-12-6-2-7-13-18)22-16-20(17-10-4-1-5-11-17)26(24,25)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,20H,2,6-7,12-13,16H2,(H,22,23)/t20-/m0/s1
InChIKeyGDOGYLKJDFMKFI-FQEVSTJZSA-N
MW371.50 g/mol
LogP3.90
Rot. Bonds6

About N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide

N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide (PubChem CID 9184612) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
PubChem CID9184612
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H25NO3S/c23-21(18-12-6-2-7-13-18)22-16-20(17-10-4-1-5-11-17)26(24,25)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,20H,2,6-7,12-13,16H2,(H,22,23)/t20-/m0/s1
InChIKeyGDOGYLKJDFMKFI-FQEVSTJZSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
CID 9153281
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-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide
CID 108804458
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide
CID 9154333
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide (CID 9184612) is N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide is O=C(NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide?
The InChIKey is GDOGYLKJDFMKFI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NO3S/c23-21(18-12-6-2-7-13-18)22-16-20(17-10-4-1-5-11-17)26(24,25)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,20H,2,6-7,12-13,16H2,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide?
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide has a molecular weight of 371.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9184612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).