[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate

C15H12FNO4S — CID 9460276

IUPAC[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cccs2)c(F)c1
InChIInChI=1S/C15H12FNO4S/c1-9(18)17-10-4-5-11(12(16)7-10)13(19)8-21-15(20)14-3-2-6-22-14/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIURYODYOOLFLKM-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.89
Rot. Bonds5

About [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate

[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 9460276) has the molecular formula C15H12FNO4S and a molecular weight of 321.33 g/mol. Its IUPAC name is [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID9460276
Molecular FormulaC15H12FNO4S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC Name[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cccs2)c(F)c1
InChIInChI=1S/C15H12FNO4S/c1-9(18)17-10-4-5-11(12(16)7-10)13(19)8-21-15(20)14-3-2-6-22-14/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIURYODYOOLFLKM-UHFFFAOYSA-N
XLogP2.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate (CID 9460276) is [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate is CC(=O)Nc1ccc(C(=O)COC(=O)c2cccs2)c(F)c1.
What is the InChIKey of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is IURYODYOOLFLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4S/c1-9(18)17-10-4-5-11(12(16)7-10)13(19)8-21-15(20)14-3-2-6-22-14/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 9460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).