2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide

C15H13F3N2O2S — CID 86829165

IUPAC2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-8(9-2-4-11(5-3-9)15(16,17)18)20-14(22)12-6-10(7-23-12)13(19)21/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyZQYFBTMAKCVJME-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.36
Rot. Bonds4

About 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide

2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide (PubChem CID 86829165) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
PubChem CID86829165
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-8(9-2-4-11(5-3-9)15(16,17)18)20-14(22)12-6-10(7-23-12)13(19)21/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyZQYFBTMAKCVJME-UHFFFAOYSA-N
XLogP3.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide 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-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide
CID 51852817
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide
CID 94480093
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088
2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide
CID 95616963

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide (CID 86829165) is 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide is CC(NC(=O)c1cc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
The InChIKey is ZQYFBTMAKCVJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-8(9-2-4-11(5-3-9)15(16,17)18)20-14(22)12-6-10(7-23-12)13(19)21/h2-8H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide has a molecular weight of 342.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 86829165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).