5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C14H12FNO3S — CID 16770616

IUPAC5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1F
InChIInChI=1S/C14H12FNO3S/c1-7-3-4-9(6-10(7)15)13(17)16-11-5-8(2)12(20-11)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyYHDPPTXOXCQIGY-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.45
Rot. Bonds3

About 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16770616) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID16770616
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1F
InChIInChI=1S/C14H12FNO3S/c1-7-3-4-9(6-10(7)15)13(17)16-11-5-8(2)12(20-11)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyYHDPPTXOXCQIGY-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 16770616) is 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is YHDPPTXOXCQIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-7-3-4-9(6-10(7)15)13(17)16-11-5-8(2)12(20-11)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16770616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).