[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

C20H15FN2O4S — CID 31712845

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H15FN2O4S/c21-15-8-6-13(7-9-15)16-10-11-17(28-16)20(26)27-12-18(24)22-23-19(25)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,24)(H,23,25)
InChIKeyZVZBSORALIIMEB-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.17
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 31712845) has the molecular formula C20H15FN2O4S and a molecular weight of 398.42 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID31712845
Molecular FormulaC20H15FN2O4S
Molecular Weight398.42 g/mol
Exact Mass398.07
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H15FN2O4S/c21-15-8-6-13(7-9-15)16-10-11-17(28-16)20(26)27-12-18(24)22-23-19(25)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,24)(H,23,25)
InChIKeyZVZBSORALIIMEB-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712486
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
phenacyl 5-(5-phenacyloxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 2508211
5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
CID 9140377
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 30968052
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146659
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-fluorophenyl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]thiophene-2-carbohydrazide
CID 26046075
2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9182743
[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847863

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 31712845) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is ZVZBSORALIIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S/c21-15-8-6-13(7-9-15)16-10-11-17(28-16)20(26)27-12-18(24)22-23-19(25)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,24)(H,23,25).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 398.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 31712845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).