(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide

C19H24N2O3S — CID 18169474

IUPAC(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(c2cccs2)N(C)C)cc(OC)c1
InChIInChI=1S/C19H24N2O3S/c1-21(2)17(18-6-5-9-25-18)13-20-19(22)8-7-14-10-15(23-3)12-16(11-14)24-4/h5-12,17H,13H2,1-4H3,(H,20,22)/b8-7+
InChIKeyCOCRPJGAKCHCTA-BQYQJAHWSA-N
MW360.48 g/mol
LogP3.20
Rot. Bonds8

About (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide

(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide (PubChem CID 18169474) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide
PubChem CID18169474
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(c2cccs2)N(C)C)cc(OC)c1
InChIInChI=1S/C19H24N2O3S/c1-21(2)17(18-6-5-9-25-18)13-20-19(22)8-7-14-10-15(23-3)12-16(11-14)24-4/h5-12,17H,13H2,1-4H3,(H,20,22)/b8-7+
InChIKeyCOCRPJGAKCHCTA-BQYQJAHWSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-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

(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 43072507
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 95983427
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161802
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 46798301
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 98439360
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
CID 2477457
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide (CID 18169474) is (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide is COc1cc(/C=C/C(=O)NCC(c2cccs2)N(C)C)cc(OC)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide?
The InChIKey is COCRPJGAKCHCTA-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-21(2)17(18-6-5-9-25-18)13-20-19(22)8-7-14-10-15(23-3)12-16(11-14)24-4/h5-12,17H,13H2,1-4H3,(H,20,22)/b8-7+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide?
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide has a molecular weight of 360.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 18169474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).