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

C16H11F3N2O2S — CID 110590864

IUPAC1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cccs2)C1=O
InChIInChI=1S/C16H11F3N2O2S/c1-21-14(22)12(11-6-3-7-24-11)13(15(21)23)20-10-5-2-4-9(8-10)16(17,18)19/h2-8,20H,1H3
InChIKeyQVAGTCZHEMEIFO-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.59
Rot. Bonds3

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

1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 110590864) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID110590864
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cccs2)C1=O
InChIInChI=1S/C16H11F3N2O2S/c1-21-14(22)12(11-6-3-7-24-11)13(15(21)23)20-10-5-2-4-9(8-10)16(17,18)19/h2-8,20H,1H3
InChIKeyQVAGTCZHEMEIFO-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.59
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-prop-2-enyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110591128
1-(3-chloro-4-methylphenyl)-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110592156
3-(3,4-dimethylanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590867
3-(3,5-dimethylanilino)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110591466
3-(3-chloro-2-methylanilino)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110591468
3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590870
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110586310
1-(2,5-dimethoxyphenyl)-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591599
1-(4-bromophenyl)-3-(3-fluoroanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592194
3-anilino-1-(3,5-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591370
3-(4-fluorophenyl)-1-propan-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110586637
3-(3-fluoroanilino)-1-[2-(4-fluorophenyl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590471

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 110590864) is 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is CN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cccs2)C1=O.
What is the InChIKey of 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is QVAGTCZHEMEIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-21-14(22)12(11-6-3-7-24-11)13(15(21)23)20-10-5-2-4-9(8-10)16(17,18)19/h2-8,20H,1H3.
What are the key properties of 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 352.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 110590864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).