(Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide

C16H14N2O2S — CID 40553008

IUPAC(Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C\c2ccsc2)c1
InChIInChI=1S/C16H14N2O2S/c1-2-20-15-5-3-4-14(9-15)18-16(19)13(10-17)8-12-6-7-21-11-12/h3-9,11H,2H2,1H3,(H,18,19)/b13-8-
InChIKeyHNAYWWUGFDXOOU-JYRVWZFOSA-N
MW298.37 g/mol
LogP3.69
Rot. Bonds5

About (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide

(Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 40553008) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID40553008
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C\c2ccsc2)c1
InChIInChI=1S/C16H14N2O2S/c1-2-20-15-5-3-4-14(9-15)18-16(19)13(10-17)8-12-6-7-21-11-12/h3-9,11H,2H2,1H3,(H,18,19)/b13-8-
InChIKeyHNAYWWUGFDXOOU-JYRVWZFOSA-N
XLogP3.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide
CID 40654997
4-[2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoic acid
CID 877034
methyl 4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2208505
4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2208157
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 2208562
2-cyano-3-(4-ethoxyphenyl)-N-(3-propan-2-yloxyphenyl)prop-2-enamide
CID 165344868
(E)-2-cyano-N-(3-ethoxyphenyl)-3-(1-propan-2-ylpyrrol-3-yl)prop-2-enamide
CID 50853751
2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 3828675
(Z)-2-cyano-3-(4-ethoxyphenyl)-N-[3-(hydroxymethyl)phenyl]prop-2-enamide
CID 110885024
2-cyano-N-(3-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-enamide
CID 71950270
ethyl 3-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19174970
2-cyano-N-(3-ethoxyphenyl)-3-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
CID 1362923

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide (CID 40553008) is (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide is CCOc1cccc(NC(=O)/C(C#N)=C\c2ccsc2)c1.
What is the InChIKey of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is HNAYWWUGFDXOOU-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-15-5-3-4-14(9-15)18-16(19)13(10-17)8-12-6-7-21-11-12/h3-9,11H,2H2,1H3,(H,18,19)/b13-8-.
What are the key properties of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 40553008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).