(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide

C17H19NO2S — CID 110298527

IUPAC(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccccc1CCNC(=O)/C(C)=C/c1cccs1
InChIInChI=1S/C17H19NO2S/c1-13(12-15-7-5-11-21-15)17(19)18-10-9-14-6-3-4-8-16(14)20-2/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)/b13-12+
InChIKeyHWGAZUQRVIOFRG-OUKQBFOZSA-N
MW301.41 g/mol
LogP3.52
Rot. Bonds6

About (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 110298527) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID110298527
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccccc1CCNC(=O)/C(C)=C/c1cccs1
InChIInChI=1S/C17H19NO2S/c1-13(12-15-7-5-11-21-15)17(19)18-10-9-14-6-3-4-8-16(14)20-2/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)/b13-12+
InChIKeyHWGAZUQRVIOFRG-OUKQBFOZSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-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

N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 134042819
(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
CID 110298647
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 4672170
N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421421
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52907474

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide (CID 110298527) is (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide is COc1ccccc1CCNC(=O)/C(C)=C/c1cccs1.
What is the InChIKey of (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HWGAZUQRVIOFRG-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13(12-15-7-5-11-21-15)17(19)18-10-9-14-6-3-4-8-16(14)20-2/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)/b13-12+.
What are the key properties of (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 301.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110298527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).