3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid

C13H8F3NO3S — CID 61234942

IUPAC3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccsc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3S/c14-13(15,16)9-3-8(12(19)20)4-10(5-9)17-11(18)7-1-2-21-6-7/h1-6H,(H,17,18)(H,19,20)
InChIKeyWRTHFIDCJYPZMR-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.72
Rot. Bonds3

About 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid

3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 61234942) has the molecular formula C13H8F3NO3S and a molecular weight of 315.27 g/mol. Its IUPAC name is 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID61234942
Molecular FormulaC13H8F3NO3S
Molecular Weight315.27 g/mol
Exact Mass315.02
IUPAC Name3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccsc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3S/c14-13(15,16)9-3-8(12(19)20)4-10(5-9)17-11(18)7-1-2-21-6-7/h1-6H,(H,17,18)(H,19,20)
InChIKeyWRTHFIDCJYPZMR-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 17444241
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
3-(pyrrolidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 61235682
N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43548409
N-pyrimidin-5-ylthiophene-3-carboxamide
CID 91557121
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
4-fluoro-2-(thiophene-3-carbonylamino)benzoic acid
CID 16788115

Frequently Asked Questions

What is the IUPAC name of 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid (CID 61234942) is 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(NC(=O)c2ccsc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is WRTHFIDCJYPZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3S/c14-13(15,16)9-3-8(12(19)20)4-10(5-9)17-11(18)7-1-2-21-6-7/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid?
3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid has a molecular weight of 315.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 61234942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).