3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione

C24H22N2O2S — CID 110554303

IUPAC3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(c3cccs3)=C(N(C)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H22N2O2S/c1-3-17-11-13-19(14-12-17)26-23(27)21(20-10-7-15-29-20)22(24(26)28)25(2)16-18-8-5-4-6-9-18/h4-15H,3,16H2,1-2H3
InChIKeyOJMYLVLYWPNUIW-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.73
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110554303) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110554303
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(c3cccs3)=C(N(C)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H22N2O2S/c1-3-17-11-13-19(14-12-17)26-23(27)21(20-10-7-15-29-20)22(24(26)28)25(2)16-18-8-5-4-6-9-18/h4-15H,3,16H2,1-2H3
InChIKeyOJMYLVLYWPNUIW-UHFFFAOYSA-N
XLogP4.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-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

3-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555461
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566951
3-[benzyl(methyl)amino]-1-(2,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555210
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552260
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
CID 110561137
3-(N-ethylanilino)-4-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110555436
propyl 4-[3-(N-methylanilino)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]benzoate
CID 110554464
3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110551974
3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573373
3-(4-chlorophenyl)sulfanyl-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554316
1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554365

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110554303) is 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is CCc1ccc(N2C(=O)C(c3cccs3)=C(N(C)Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is OJMYLVLYWPNUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-3-17-11-13-19(14-12-17)26-23(27)21(20-10-7-15-29-20)22(24(26)28)25(2)16-18-8-5-4-6-9-18/h4-15H,3,16H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 402.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110554303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).