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

C13H10FNO3S — CID 3820940

IUPAC3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3S/c1-7-6-19-11(13(17)18)10(7)15-12(16)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyXPNXDSVDVRRBOF-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.15
Rot. Bonds3

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

3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 3820940) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID3820940
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3S/c1-7-6-19-11(13(17)18)10(7)15-12(16)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyXPNXDSVDVRRBOF-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.15
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]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (CID 3820940) is 3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is XPNXDSVDVRRBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c1-7-6-19-11(13(17)18)10(7)15-12(16)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 3.15, 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]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 3820940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).