3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C20H22N2O3S — CID 7309194

IUPAC3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESCc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C20H22N2O3S/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-11-26-17)20(24)22-7-9-25-10-8-22/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)/b18-13-
InChIKeyNLARBYVUKOPWDA-AQTBWJFISA-N
MW370.47 g/mol
LogP2.99
Rot. Bonds4

About 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 7309194) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID7309194
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESCc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C20H22N2O3S/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-11-26-17)20(24)22-7-9-25-10-8-22/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)/b18-13-
InChIKeyNLARBYVUKOPWDA-AQTBWJFISA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide 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

(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
4-methyl-N-[1-(1-piperidinylcarbonyl)-2-(2-thienyl)vinyl]benzamide
CID 1100448
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
CID 1436831
(E)-4-(tert-butyl)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
CID 1893622
4-tert-Butyl-N-[1-(morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 1894056
4-Methyl-N-[1-(3-morpholin-4-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2131946
N-[1-(Morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2262661
N-[2-[[2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3215806
N-[(E)-1-(4-bromophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 5441728

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 7309194) is 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is NLARBYVUKOPWDA-AQTBWJFISA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-11-26-17)20(24)22-7-9-25-10-8-22/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)/b18-13-.
What are the key properties of 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 7309194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).