(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide

C14H15BrN2OS — CID 2688615

IUPAC(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)s1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H15BrN2OS/c15-13-7-6-12(19-13)8-10(9-16)14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,17,18)/b10-8-
InChIKeyKMGOQKHOTWCMEZ-NTMALXAHSA-N
MW339.26 g/mol
LogP3.87
Rot. Bonds3

About (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide

(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide (PubChem CID 2688615) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide
PubChem CID2688615
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)s1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H15BrN2OS/c15-13-7-6-12(19-13)8-10(9-16)14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,17,18)/b10-8-
InChIKeyKMGOQKHOTWCMEZ-NTMALXAHSA-N
XLogP3.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.87
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

(Z)-2-cyano-N-cyclohexyl-3-(5-ethylthiophen-2-yl)prop-2-enamide
CID 840914
2-cyano-N-cyclopropyl-3-(5-ethylthiophen-2-yl)prop-2-enamide
CID 3434811
3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoic acid
CID 4596279
(E)-3-(4-bromo-2-fluorophenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 7967077
(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide
CID 92962211
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
(E)-2-cyano-N-cyclohexyl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2387889
(E)-3-(5-bromothiophen-2-yl)-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
CID 18274571
(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)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1124180
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide?
The IUPAC name of (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide (CID 2688615) is (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide.
What is the SMILES notation for (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide?
The canonical SMILES for (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide is N#C/C(=C/c1ccc(Br)s1)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide?
The InChIKey is KMGOQKHOTWCMEZ-NTMALXAHSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c15-13-7-6-12(19-13)8-10(9-16)14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,17,18)/b10-8-.
What are the key properties of (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide?
(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide has a molecular weight of 339.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide is sourced from PubChem (CID 2688615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).