N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide

C18H18N2O2S — CID 100702680

IUPACN-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC1CC1
InChIInChI=1S/C18H18N2O2S/c1-12-5-2-3-7-15(12)17(21)20-16(11-14-6-4-10-23-14)18(22)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,22)(H,20,21)/b16-11-
InChIKeyWPGBXEZCWDZNJY-WJDWOHSUSA-N
MW326.42 g/mol
LogP3.11
Rot. Bonds5

About N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide

N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide (PubChem CID 100702680) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide
PubChem CID100702680
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC1CC1
InChIInChI=1S/C18H18N2O2S/c1-12-5-2-3-7-15(12)17(21)20-16(11-14-6-4-10-23-14)18(22)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,22)(H,20,21)/b16-11-
InChIKeyWPGBXEZCWDZNJY-WJDWOHSUSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide 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-[(Z)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide
CID 125063861
2-methyl-N-[(Z)-3-oxo-3-(spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylamino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 133162992
2-methyl-N-[(Z)-3-[(4-methylphenyl)methylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100694827
2-methyl-N-[(Z)-3-oxo-3-(pyridin-2-ylmethylamino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100684749
2-methyl-N-[(Z)-3-oxo-1-thiophen-2-yl-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]benzamide
CID 133261907
N-[(Z)-3-[[(2S)-2-ethylhexyl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide
CID 100547536
2-methyl-N-[(Z)-3-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100743414
2-methyl-N-[(Z)-3-oxo-3-(3-prop-2-enoxyanilino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100686614
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-methyl-N-[(Z)-3-oxo-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100584769
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
CID 783464

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide (CID 100702680) is N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC1CC1.
What is the InChIKey of N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide?
The InChIKey is WPGBXEZCWDZNJY-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-5-2-3-7-15(12)17(21)20-16(11-14-6-4-10-23-14)18(22)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,22)(H,20,21)/b16-11-.
What are the key properties of N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide?
N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(cyclopropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide is sourced from PubChem (CID 100702680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).