(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide

C15H18N2O3S — CID 75408061

IUPAC(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide
SMILESC/C(=C/C(=O)NS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C
InChIInChI=1S/C15H18N2O3S/c1-11(15(2,3)4)9-14(18)17-21(19,20)13-7-5-12(10-16)6-8-13/h5-9H,1-4H3,(H,17,18)/b11-9-
InChIKeyQGCJKTRCXNADGG-LUAWRHEFSA-N
MW306.39 g/mol
LogP2.36
Rot. Bonds3

About (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide

(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide (PubChem CID 75408061) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide
PubChem CID75408061
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide
SMILESC/C(=C/C(=O)NS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C
InChIInChI=1S/C15H18N2O3S/c1-11(15(2,3)4)9-14(18)17-21(19,20)13-7-5-12(10-16)6-8-13/h5-9H,1-4H3,(H,17,18)/b11-9-
InChIKeyQGCJKTRCXNADGG-LUAWRHEFSA-N
XLogP2.36
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide
CID 51086068
N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide
CID 932395
(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
CID 97456090
2-[(4-cyanophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468041
(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
CID 46703416
[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 10688340
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
CID 47232028
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784
4-cyano-N-methylsulfonylbenzamide
CID 47232721
tert-butyl (2S)-2-[(4-cyanophenyl)sulfonylamino]-3-methylbutanoate
CID 59460580
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide?
The IUPAC name of (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide (CID 75408061) is (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide.
What is the SMILES notation for (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide?
The canonical SMILES for (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide is C/C(=C/C(=O)NS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C.
What is the InChIKey of (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide?
The InChIKey is QGCJKTRCXNADGG-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(15(2,3)4)9-14(18)17-21(19,20)13-7-5-12(10-16)6-8-13/h5-9H,1-4H3,(H,17,18)/b11-9-.
What are the key properties of (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide?
(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide has a molecular weight of 306.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide is sourced from PubChem (CID 75408061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).