[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate

C15H13FN2O4S — CID 5027801

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H13FN2O4S/c16-11-5-3-10(4-6-11)8-14(20)22-9-13(19)17-18-15(21)12-2-1-7-23-12/h1-7H,8-9H2,(H,17,19)(H,18,21)
InChIKeyMKJJBCPQEVFQGA-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.43
Rot. Bonds5

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate (PubChem CID 5027801) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate
PubChem CID5027801
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H13FN2O4S/c16-11-5-3-10(4-6-11)8-14(20)22-9-13(19)17-18-15(21)12-2-1-7-23-12/h1-7H,8-9H2,(H,17,19)(H,18,21)
InChIKeyMKJJBCPQEVFQGA-UHFFFAOYSA-N
XLogP1.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate (CID 5027801) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is MKJJBCPQEVFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c16-11-5-3-10(4-6-11)8-14(20)22-9-13(19)17-18-15(21)12-2-1-7-23-12/h1-7H,8-9H2,(H,17,19)(H,18,21).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 336.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 5027801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).