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

C23H20N2O2S — CID 110590782

IUPAC1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3cccs3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H20N2O2S/c1-2-16-10-12-18(13-11-16)24-21-20(19-9-6-14-28-19)22(26)25(23(21)27)15-17-7-4-3-5-8-17/h3-14,24H,2,15H2,1H3
InChIKeyIOAIGHXQKMPRQY-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.70
Rot. Bonds6

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

1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110590782) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110590782
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3cccs3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H20N2O2S/c1-2-16-10-12-18(13-11-16)24-21-20(19-9-6-14-28-19)22(26)25(23(21)27)15-17-7-4-3-5-8-17/h3-14,24H,2,15H2,1H3
InChIKeyIOAIGHXQKMPRQY-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[4-(diethylamino)anilino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590769
1-benzyl-3-(3,4-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590780
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
3-(4-ethoxyanilino)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590622
3-(4-ethoxyanilino)-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590755
3-[4-(diethylamino)anilino]-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590741
3-(3,4-dimethylanilino)-1-[(4-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591024
3-(3,4-dimethylanilino)-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590752
1-(pyridin-4-ylmethyl)-3-thiophen-2-yl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110590733
3-(4-ethylanilino)-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110600475
1-(5-chloro-2-methylphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591540
1-[(3,4-dimethoxyphenyl)methyl]-3-(3,4-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591268

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110590782) is 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is CCc1ccc(NC2=C(c3cccs3)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is IOAIGHXQKMPRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-2-16-10-12-18(13-11-16)24-21-20(19-9-6-14-28-19)22(26)25(23(21)27)15-17-7-4-3-5-8-17/h3-14,24H,2,15H2,1H3.
What are the key properties of 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 388.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110590782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).