N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

C20H22N2O5S — CID 1154726

IUPACN-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C20H22N2O5S/c1-25-16-6-5-14(13-17(16)26-2)12-15(20(24)22-7-9-27-10-8-22)21-19(23)18-4-3-11-28-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)/b15-12+
InChIKeyCAGRIOGBWMUIRH-NTCAYCPXSA-N
MW402.47 g/mol
LogP2.39
Rot. Bonds6

About N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide (PubChem CID 1154726) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
PubChem CID1154726
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C20H22N2O5S/c1-25-16-6-5-14(13-17(16)26-2)12-15(20(24)22-7-9-27-10-8-22)21-19(23)18-4-3-11-28-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)/b15-12+
InChIKeyCAGRIOGBWMUIRH-NTCAYCPXSA-N
XLogP2.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide 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-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
CID 11675630
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 1910647
N-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1946933
N-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1968406
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
2-(3-Methylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 742500
N-[2-(3,4-Dimethoxy-phenyl)-1-(morpholine-4-carbonyl)-vinyl]-benzamide
CID 1118397
1-(2,3-Dimethoxybenzoyl)-4-(2-thienylcarbonyl)piperazine
CID 1148081
Cambridge id 6682106
CID 1154721
Thiophene-2-carboxylic acid [(Z)-2-(3,4-dimethoxy-phenyl)-1-(morpholine-4-carbonyl)-vinyl]-amide
CID 1608711

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide (CID 1154726) is N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
The InChIKey is CAGRIOGBWMUIRH-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-25-16-6-5-14(13-17(16)26-2)12-15(20(24)22-7-9-27-10-8-22)21-19(23)18-4-3-11-28-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)/b15-12+.
What are the key properties of N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1154726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).