5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid

C13H8F3NO3S — CID 43474861

IUPAC5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3S/c14-13(15,16)8-3-1-2-7(6-8)11(18)17-10-5-4-9(21-10)12(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyMWXMIDOHHHLAAM-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.72
Rot. Bonds3

About 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid

5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474861) has the molecular formula C13H8F3NO3S and a molecular weight of 315.27 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
PubChem CID43474861
Molecular FormulaC13H8F3NO3S
Molecular Weight315.27 g/mol
Exact Mass315.02
IUPAC Name5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3S/c14-13(15,16)8-3-1-2-7(6-8)11(18)17-10-5-4-9(21-10)12(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyMWXMIDOHHHLAAM-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

3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 3307748
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43474930
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
CID 7520896
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid (CID 43474861) is 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
The InChIKey is MWXMIDOHHHLAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3S/c14-13(15,16)8-3-1-2-7(6-8)11(18)17-10-5-4-9(21-10)12(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic 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 5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).