(Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide

C16H20N2OS — CID 840914

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H20N2OS/c1-2-14-8-9-15(20-14)10-12(11-17)16(19)18-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H,18,19)/b12-10-
InChIKeyAJYFDEAOOPWRBH-BENRWUELSA-N
MW288.42 g/mol
LogP3.67
Rot. Bonds4

About (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide (PubChem CID 840914) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide
PubChem CID840914
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H20N2OS/c1-2-14-8-9-15(20-14)10-12(11-17)16(19)18-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H,18,19)/b12-10-
InChIKeyAJYFDEAOOPWRBH-BENRWUELSA-N
XLogP3.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-cyclopropyl-3-(5-ethylthiophen-2-yl)prop-2-enamide
CID 3434811
(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide
CID 2688615
(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 19175534
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
2-cyano-N-cyclohexyl-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 3674797
(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
CID 108831412
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616
(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 1272261
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7481078
(E)-2-cyano-N-cyclohexyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247292
(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-cyclooctylprop-2-enamide
CID 46547542

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide (CID 840914) is (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide is CCc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)s1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The InChIKey is AJYFDEAOOPWRBH-BENRWUELSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-14-8-9-15(20-14)10-12(11-17)16(19)18-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H,18,19)/b12-10-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide has a molecular weight of 288.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 840914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).