(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide

C20H24N2O3S — CID 24683008

IUPAC(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C20H24N2O3S/c1-15-5-4-6-18(16(15)2)21-19(23)13-22(10-11-25-3)20(24)8-7-17-9-12-26-14-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/b8-7+
InChIKeyBUPDJPZTYVEMEF-BQYQJAHWSA-N
MW372.49 g/mol
LogP3.49
Rot. Bonds8

About (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide

(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 24683008) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID24683008
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C20H24N2O3S/c1-15-5-4-6-18(16(15)2)21-19(23)13-22(10-11-25-3)20(24)8-7-17-9-12-26-14-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/b8-7+
InChIKeyBUPDJPZTYVEMEF-BQYQJAHWSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-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

(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26903859
methyl 4-[(E)-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzoate
CID 8503568
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 24534482
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264
3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17412994
(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 51095004
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55331477
methyl 4-[(E)-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 55331697
methyl 2-[methyl-[(E)-3-thiophen-3-ylprop-2-enoyl]amino]acetate
CID 75413211
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
CID 47069804
(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 6011753
(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 55375827

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide (CID 24683008) is (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide is COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is BUPDJPZTYVEMEF-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-5-4-6-18(16(15)2)21-19(23)13-22(10-11-25-3)20(24)8-7-17-9-12-26-14-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/b8-7+.
What are the key properties of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 372.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 24683008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).