3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione

C23H20N2O2S — CID 110555342

IUPAC3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCN(C1=C(c2cccs2)C(=O)N(c2ccccc2C)C1=O)c1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-3-24(17-11-5-4-6-12-17)21-20(19-14-9-15-28-19)22(26)25(23(21)27)18-13-8-7-10-16(18)2/h4-15H,3H2,1-2H3
InChIKeyYUOUNQWLRVYFGY-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.87
Rot. Bonds5

About 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110555342) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110555342
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCN(C1=C(c2cccs2)C(=O)N(c2ccccc2C)C1=O)c1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-3-24(17-11-5-4-6-12-17)21-20(19-14-9-15-28-19)22(26)25(23(21)27)18-13-8-7-10-16(18)2/h4-15H,3H2,1-2H3
InChIKeyYUOUNQWLRVYFGY-UHFFFAOYSA-N
XLogP4.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561966
3-(N-ethylanilino)-4-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110555436
1-(3,4-difluorophenyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555407
3-(N-ethylanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110545874
1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552894
3-(N-ethylanilino)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552558
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553600
3-[benzyl(ethyl)amino]-1-(4-chloro-2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555094
3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110551995
3-[benzyl(methyl)amino]-1-(2,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555210
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555331

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110555342) is 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is CCN(C1=C(c2cccs2)C(=O)N(c2ccccc2C)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is YUOUNQWLRVYFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-3-24(17-11-5-4-6-12-17)21-20(19-14-9-15-28-19)22(26)25(23(21)27)18-13-8-7-10-16(18)2/h4-15H,3H2,1-2H3.
What are the key properties of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 388.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110555342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).