(E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C16H14N2O2S — CID 126201597

IUPAC(E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)NCc1cccs1
InChIInChI=1S/C16H14N2O2S/c1-20-15-7-3-2-5-12(15)9-13(10-17)16(19)18-11-14-6-4-8-21-14/h2-9H,11H2,1H3,(H,18,19)/b13-9+
InChIKeyICBOGLYSKMXBOB-UKTHLTGXSA-N
MW298.37 g/mol
LogP2.98
Rot. Bonds5

About (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 126201597) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID126201597
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)NCc1cccs1
InChIInChI=1S/C16H14N2O2S/c1-20-15-7-3-2-5-12(15)9-13(10-17)16(19)18-11-14-6-4-8-21-14/h2-9H,11H2,1H3,(H,18,19)/b13-9+
InChIKeyICBOGLYSKMXBOB-UKTHLTGXSA-N
XLogP2.98
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 ≤ 52.98
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)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 94851061
(Z)-3-[5-bromo-4-(diethylamino)-2-methoxyphenyl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 1073588
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(E)-2-cyano-N-hexyl-3-(2-methoxyphenyl)prop-2-enamide
CID 6534011
(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 1405179
(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 787977
(Z)-2-cyano-3-(2-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126244030
(E)-2-cyano-3-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 787972
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2713691
methyl 2-[3-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carboxylate
CID 126203211
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19175490

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 126201597) is (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is COc1ccccc1/C=C(\C#N)C(=O)NCc1cccs1.
What is the InChIKey of (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is ICBOGLYSKMXBOB-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-15-7-3-2-5-12(15)9-13(10-17)16(19)18-11-14-6-4-8-21-14/h2-9H,11H2,1H3,(H,18,19)/b13-9+.
What are the key properties of (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 126201597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).