3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione

C24H19F3N2O2S — CID 110551995

IUPAC3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
SMILESCCN(C1=C(c2cccs2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1
InChIInChI=1S/C24H19F3N2O2S/c1-2-28(18-10-4-3-5-11-18)21-20(19-12-7-13-32-19)22(30)29(23(21)31)15-16-8-6-9-17(14-16)24(25,26)27/h3-14H,2,15H2,1H3
InChIKeyQNSBNYPDEQCAOX-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.57
Rot. Bonds6

About 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione

3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione (PubChem CID 110551995) has the molecular formula C24H19F3N2O2S and a molecular weight of 456.49 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
PubChem CID110551995
Molecular FormulaC24H19F3N2O2S
Molecular Weight456.49 g/mol
Exact Mass456.11
IUPAC Name3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
SMILESCCN(C1=C(c2cccs2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1
InChIInChI=1S/C24H19F3N2O2S/c1-2-28(18-10-4-3-5-11-18)21-20(19-12-7-13-32-19)22(30)29(23(21)31)15-16-8-6-9-17(14-16)24(25,26)27/h3-14H,2,15H2,1H3
InChIKeyQNSBNYPDEQCAOX-UHFFFAOYSA-N
XLogP5.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.57
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-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552558
3-(N-ethylanilino)-4-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110555436
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552894
3-(2-hydroxyethylsulfanyl)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110552003
1-(3,4-difluorophenyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555407
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553600
3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555342
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
3-ethylsulfanyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110558412
3-chloro-4-(N-ethylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180927
1-benzyl-3-[4-(diethylamino)anilino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590769

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione (CID 110551995) is 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione is CCN(C1=C(c2cccs2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The InChIKey is QNSBNYPDEQCAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2S/c1-2-28(18-10-4-3-5-11-18)21-20(19-12-7-13-32-19)22(30)29(23(21)31)15-16-8-6-9-17(14-16)24(25,26)27/h3-14H,2,15H2,1H3.
What are the key properties of 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione has a molecular weight of 456.49 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110551995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).