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

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Related Compounds

4-(Thiophene-2-amido)benzoic acid
CID 746807
2-(2,2-Dimethyl-propionylamino)-5-phenyl-thiophene-3-carboxylic acid
CID 762466
2-(4-Fluorobenzamido)-4-(p-tolyl)thiophene-3-carboxylic acid
CID 1353686
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768
4-[[(3-Methyl-2-thienyl)carbonyl]amino]benzoic acid
CID 3236748
4-(2-Thiophen-2-yl-acetylamino)-benzoic acid
CID 649392
3-(4-Methylbenzamido)thiophene-2-carboxylic acid
CID 1485385
2-[(2-Fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 1353136
2-(4-Fluoro-benzoylamino)-4-isobutyl-thiophene-3-carboxylic acid
CID 917077
Ethyl 5-benzamido-3-methylthiophene-2-carboxylate
CID 2078477
4,5-Dimethyl-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 162651494
2-[(2-Fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 828419

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).