[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate

C15H12F2N2O5S — CID 7639383

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)NNC(=O)c1cccs1
InChIInChI=1S/C15H12F2N2O5S/c16-15(17)24-10-5-2-1-4-9(10)14(22)23-8-12(20)18-19-13(21)11-6-3-7-25-11/h1-7,15H,8H2,(H,18,20)(H,19,21)
InChIKeyZCHDETMWLGNEHE-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.97
Rot. Bonds6

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate (PubChem CID 7639383) has the molecular formula C15H12F2N2O5S and a molecular weight of 370.33 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate
PubChem CID7639383
Molecular FormulaC15H12F2N2O5S
Molecular Weight370.33 g/mol
Exact Mass370.04
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)NNC(=O)c1cccs1
InChIInChI=1S/C15H12F2N2O5S/c16-15(17)24-10-5-2-1-4-9(10)14(22)23-8-12(20)18-19-13(21)11-6-3-7-25-11/h1-7,15H,8H2,(H,18,20)(H,19,21)
InChIKeyZCHDETMWLGNEHE-UHFFFAOYSA-N
XLogP1.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(difluoromethoxy)benzoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate (CID 7639383) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate is O=C(COC(=O)c1ccccc1OC(F)F)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is ZCHDETMWLGNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O5S/c16-15(17)24-10-5-2-1-4-9(10)14(22)23-8-12(20)18-19-13(21)11-6-3-7-25-11/h1-7,15H,8H2,(H,18,20)(H,19,21).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 370.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 7639383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).