(3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione

C22H17NO2S — CID 12925016

IUPAC(3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione
SMILESCc1ccc(/C(=C2/CC(=O)N(c3ccccc3)C2=O)c2cccs2)cc1
InChIInChI=1S/C22H17NO2S/c1-15-9-11-16(12-10-15)21(19-8-5-13-26-19)18-14-20(24)23(22(18)25)17-6-3-2-4-7-17/h2-13H,14H2,1H3/b21-18+
InChIKeyFQKWZTYBHHJDGB-DYTRJAOYSA-N
MW359.45 g/mol
LogP4.82
Rot. Bonds3

About (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione

(3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione (PubChem CID 12925016) has the molecular formula C22H17NO2S and a molecular weight of 359.45 g/mol. Its IUPAC name is (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione
PubChem CID12925016
Molecular FormulaC22H17NO2S
Molecular Weight359.45 g/mol
Exact Mass359.10
IUPAC Name(3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione
SMILESCc1ccc(/C(=C2/CC(=O)N(c3ccccc3)C2=O)c2cccs2)cc1
InChIInChI=1S/C22H17NO2S/c1-15-9-11-16(12-10-15)21(19-8-5-13-26-19)18-14-20(24)23(22(18)25)17-6-3-2-4-7-17/h2-13H,14H2,1H3/b21-18+
InChIKeyFQKWZTYBHHJDGB-DYTRJAOYSA-N
XLogP4.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione 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

(2E)-2-[phenyl(thiophen-2-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 171477739
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
(3E)-3-(2-chloroethylidene)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 175653564
4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one
CID 59888190
1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione
CID 171133678
1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 892975
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
7-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 161493416
(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-imino-7,7-dimethyl-1-phenyl-4-thiophen-2-yl-6,8-dihydro-4H-quinolin-5-one
CID 135846710
N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23943157
(1S,2S,6S,7S)-10-benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98053249

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione (CID 12925016) is (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione is Cc1ccc(/C(=C2/CC(=O)N(c3ccccc3)C2=O)c2cccs2)cc1.
What is the InChIKey of (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is FQKWZTYBHHJDGB-DYTRJAOYSA-N. The full InChI is InChI=1S/C22H17NO2S/c1-15-9-11-16(12-10-15)21(19-8-5-13-26-19)18-14-20(24)23(22(18)25)17-6-3-2-4-7-17/h2-13H,14H2,1H3/b21-18+.
What are the key properties of (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione?
(3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 359.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-methylphenyl)-thiophen-2-ylmethylidene]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 12925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).