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

C18H12FNO3S — CID 67052188

IUPAC4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccccc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C18H12FNO3S/c19-13-8-6-12(7-9-13)17(21)20-14-10-24-16(15(14)18(22)23)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H,22,23)
InChIKeyDTIBPECGDFUBSI-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.50
Rot. Bonds4

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

4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid (PubChem CID 67052188) has the molecular formula C18H12FNO3S and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid
PubChem CID67052188
Molecular FormulaC18H12FNO3S
Molecular Weight341.36 g/mol
Exact Mass341.05
IUPAC Name4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccccc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C18H12FNO3S/c19-13-8-6-12(7-9-13)17(21)20-14-10-24-16(15(14)18(22)23)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H,22,23)
InChIKeyDTIBPECGDFUBSI-UHFFFAOYSA-N
XLogP4.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid?
The IUPAC name of 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid (CID 67052188) is 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid?
The canonical SMILES for 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid is O=C(Nc1csc(-c2ccccc2)c1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid?
The InChIKey is DTIBPECGDFUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3S/c19-13-8-6-12(7-9-13)17(21)20-14-10-24-16(15(14)18(22)23)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H,22,23).
What are the key properties of 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid?
4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzoyl)amino]-2-phenylthiophene-3-carboxylic acid is sourced from PubChem (CID 67052188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).