(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide

C17H23NO3S — CID 99625988

IUPAC(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-8-10-16(11-9-13)22(20,21)12-14(2)18-17(19)15-6-4-3-5-7-15/h3-4,8-11,14-15H,5-7,12H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyIVKLWLGLFIQPCD-CABCVRRESA-N
MW321.44 g/mol
LogP2.63
Rot. Bonds5

About (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 99625988) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID99625988
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-8-10-16(11-9-13)22(20,21)12-14(2)18-17(19)15-6-4-3-5-7-15/h3-4,8-11,14-15H,5-7,12H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyIVKLWLGLFIQPCD-CABCVRRESA-N
XLogP2.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501
N-heptan-2-ylcyclohex-3-ene-1-carboxamide
CID 134055913
N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26643906
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199
2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
CID 24699400
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
CID 114389785
(1S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
CID 35978377
trans-(1R,2R)-2-methoxy-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohexan-1-amine
CID 99854602
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932203
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide (CID 99625988) is (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide is Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H]2CC=CCC2)cc1.
What is the InChIKey of (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is IVKLWLGLFIQPCD-CABCVRRESA-N. The full InChI is InChI=1S/C17H23NO3S/c1-13-8-10-16(11-9-13)22(20,21)12-14(2)18-17(19)15-6-4-3-5-7-15/h3-4,8-11,14-15H,5-7,12H2,1-2H3,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 99625988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).