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

C14H10F3NO3S — CID 17463691

IUPAC3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)O
InChIInChI=1S/C14H10F3NO3S/c1-7-5-10(22-11(7)13(20)21)18-12(19)8-3-2-4-9(6-8)14(15,16)17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyCIPCAPJSMKWLSU-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.03
Rot. Bonds3

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

3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid (PubChem CID 17463691) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
PubChem CID17463691
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC Name3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)O
InChIInChI=1S/C14H10F3NO3S/c1-7-5-10(22-11(7)13(20)21)18-12(19)8-3-2-4-9(6-8)14(15,16)17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyCIPCAPJSMKWLSU-UHFFFAOYSA-N
XLogP4.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376
5-[[3-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43171275
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474861
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048
3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 16773361

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid (CID 17463691) is 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
The InChIKey is CIPCAPJSMKWLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c1-7-5-10(22-11(7)13(20)21)18-12(19)8-3-2-4-9(6-8)14(15,16)17/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid?
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid has a molecular weight of 329.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 17463691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).