(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide

C16H14N2O2S — CID 19171872

IUPAC(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1
InChIInChI=1S/C16H14N2O2S/c1-2-20-14-7-5-13(6-8-14)18-16(19)12(11-17)10-15-4-3-9-21-15/h3-10H,2H2,1H3,(H,18,19)/b12-10+
InChIKeyKETBTHKUHYFYFL-ZRDIBKRKSA-N
MW298.37 g/mol
LogP3.69
Rot. Bonds5

About (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 19171872) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID19171872
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1
InChIInChI=1S/C16H14N2O2S/c1-2-20-14-7-5-13(6-8-14)18-16(19)12(11-17)10-15-4-3-9-21-15/h3-10H,2H2,1H3,(H,18,19)/b12-10+
InChIKeyKETBTHKUHYFYFL-ZRDIBKRKSA-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'}

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Related Compounds

(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide
CID 40654997
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 5025351
4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]benzoic acid
CID 727285
(Z)-3-(3-chlorophenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 124647545
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 48836654
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 7912255
(E)-2-cyano-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2362469
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 45041756
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855612
(E)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 1355463

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide (CID 19171872) is (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide is CCOc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1.
What is the InChIKey of (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KETBTHKUHYFYFL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-14-7-5-13(6-8-14)18-16(19)12(11-17)10-15-4-3-9-21-15/h3-10H,2H2,1H3,(H,18,19)/b12-10+.
What are the key properties of (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-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 (E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 19171872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).