[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate

C15H20N2O4S — CID 3382804

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)NNC(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S/c18-13(16-17-15(20)12-7-4-8-22-12)10-21-14(19)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,16,18)(H,17,20)
InChIKeyXOYNBCIOXGRZOA-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.02
Rot. Bonds5

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

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate (PubChem CID 3382804) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate
PubChem CID3382804
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)NNC(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S/c18-13(16-17-15(20)12-7-4-8-22-12)10-21-14(19)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,16,18)(H,17,20)
InChIKeyXOYNBCIOXGRZOA-UHFFFAOYSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate (CID 3382804) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate is O=C(COC(=O)CC1CCCCC1)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate?
The InChIKey is XOYNBCIOXGRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-13(16-17-15(20)12-7-4-8-22-12)10-21-14(19)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,16,18)(H,17,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-cyclohexylacetate has a molecular weight of 324.40 g/mol, XLogP of 2.02, 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-cyclohexylacetate is sourced from PubChem (CID 3382804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).