3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid

C13H10FNO3S — CID 55083070

IUPAC3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(F)c(C(=O)Nc2ccsc2C(=O)O)c1
InChIInChI=1S/C13H10FNO3S/c1-7-2-3-9(14)8(6-7)12(16)15-10-4-5-19-11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyNNJSWNIDCZIZMT-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.15
Rot. Bonds3

About 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid

3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 55083070) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID55083070
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(F)c(C(=O)Nc2ccsc2C(=O)O)c1
InChIInChI=1S/C13H10FNO3S/c1-7-2-3-9(14)8(6-7)12(16)15-10-4-5-19-11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyNNJSWNIDCZIZMT-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
3-[(2,4-dichloro-5-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43171762
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 107948948
3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 65306036
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid (CID 55083070) is 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid is Cc1ccc(F)c(C(=O)Nc2ccsc2C(=O)O)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is NNJSWNIDCZIZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c1-7-2-3-9(14)8(6-7)12(16)15-10-4-5-19-11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid?
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 55083070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).