4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid

C15H14FNO3S — CID 103791536

IUPAC4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
SMILESCCc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)sc1C
InChIInChI=1S/C15H14FNO3S/c1-3-9-6-13(21-8(9)2)14(18)17-10-4-5-11(15(19)20)12(16)7-10/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIVMOPQCOAZQPOM-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.71
Rot. Bonds4

About 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid

4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid (PubChem CID 103791536) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
PubChem CID103791536
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
SMILESCCc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)sc1C
InChIInChI=1S/C15H14FNO3S/c1-3-9-6-13(21-8(9)2)14(18)17-10-4-5-11(15(19)20)12(16)7-10/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIVMOPQCOAZQPOM-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 26086809
N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725
N-(4-fluoro-3-nitrophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9207791
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 103791548
2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid
CID 854084
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852084
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494324
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid (CID 103791536) is 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid is CCc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)sc1C.
What is the InChIKey of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid?
The InChIKey is IVMOPQCOAZQPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-3-9-6-13(21-8(9)2)14(18)17-10-4-5-11(15(19)20)12(16)7-10/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid?
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 103791536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).