5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid

C14H12FNO3S — CID 876996

IUPAC5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H12FNO3S/c1-2-8-7-10(14(18)19)13(20-8)16-12(17)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyKOQJQKDSXPGBGT-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.40
Rot. Bonds4

About 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid

5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 876996) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID876996
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H12FNO3S/c1-2-8-7-10(14(18)19)13(20-8)16-12(17)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyKOQJQKDSXPGBGT-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 115496428
2-[(5-chloro-2-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616192
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616191
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63616189
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615147
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid (CID 876996) is 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is KOQJQKDSXPGBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-2-8-7-10(14(18)19)13(20-8)16-12(17)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 876996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).