2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C14H12FNO3S — CID 828419

IUPAC2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccccc2F)c(C(=O)O)c1C
InChIInChI=1S/C14H12FNO3S/c1-7-8(2)20-13(11(7)14(18)19)16-12(17)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDVKZCOQSFNMDRN-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.45
Rot. Bonds3

About 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 828419) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID828419
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccccc2F)c(C(=O)O)c1C
InChIInChI=1S/C14H12FNO3S/c1-7-8(2)20-13(11(7)14(18)19)16-12(17)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDVKZCOQSFNMDRN-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 828419) is 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1sc(NC(=O)c2ccccc2F)c(C(=O)O)c1C.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is DVKZCOQSFNMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-7-8(2)20-13(11(7)14(18)19)16-12(17)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 828419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).