(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide

C17H19NO2S — CID 32969540

IUPAC(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCCc1cccs1
InChIInChI=1S/C17H19NO2S/c1-2-20-16-8-4-3-6-14(16)9-10-17(19)18-12-11-15-7-5-13-21-15/h3-10,13H,2,11-12H2,1H3,(H,18,19)/b10-9+
InChIKeyILJQCUQHROGNPL-MDZDMXLPSA-N
MW301.41 g/mol
LogP3.52
Rot. Bonds7

About (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide (PubChem CID 32969540) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
PubChem CID32969540
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCCc1cccs1
InChIInChI=1S/C17H19NO2S/c1-2-20-16-8-4-3-6-14(16)9-10-17(19)18-12-11-15-7-5-13-21-15/h3-10,13H,2,11-12H2,1H3,(H,18,19)/b10-9+
InChIKeyILJQCUQHROGNPL-MDZDMXLPSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-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

3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 43008492
(E)-3-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 51181845
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979
(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 46492102
(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 26189419

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide (CID 32969540) is (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NCCc1cccs1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The InChIKey is ILJQCUQHROGNPL-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-20-16-8-4-3-6-14(16)9-10-17(19)18-12-11-15-7-5-13-21-15/h3-10,13H,2,11-12H2,1H3,(H,18,19)/b10-9+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide has a molecular weight of 301.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 32969540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).