3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid

C12H8FNO3S — CID 16771129

IUPAC3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO3S/c13-8-3-1-7(2-4-8)11(15)14-9-5-6-18-10(9)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyGIDRVPITKQPCQE-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.84
Rot. Bonds3

About 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid

3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 16771129) has the molecular formula C12H8FNO3S and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID16771129
Molecular FormulaC12H8FNO3S
Molecular Weight265.26 g/mol
Exact Mass265.02
IUPAC Name3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO3S/c13-8-3-1-7(2-4-8)11(15)14-9-5-6-18-10(9)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyGIDRVPITKQPCQE-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid (CID 16771129) is 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is GIDRVPITKQPCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-8-3-1-7(2-4-8)11(15)14-9-5-6-18-10(9)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 16771129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).