[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate

C18H26N2O4S — CID 3982380

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)13-8-6-12(7-9-13)17(23)24-11-15(21)19-20-16(22)14-5-4-10-25-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyLGRUVKTZOGFNQA-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.90
Rot. Bonds4

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 3982380) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID3982380
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)13-8-6-12(7-9-13)17(23)24-11-15(21)19-20-16(22)14-5-4-10-25-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyLGRUVKTZOGFNQA-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.90
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] 4-tert-butylcyclohexane-1-carboxylate 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] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 3982380) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate is CC(C)(C)C1CCC(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is LGRUVKTZOGFNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-18(2,3)13-8-6-12(7-9-13)17(23)24-11-15(21)19-20-16(22)14-5-4-10-25-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 2.90, 4 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] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 3982380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).