[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C16H20N2O4S — CID 4881117

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)NNC(=O)c1cccs1
InChIInChI=1S/C16H20N2O4S/c19-14(17-18-16(21)13-2-1-5-23-13)9-22-15(20)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,17,19)(H,18,21)
InChIKeyCNKKFISUVMLQTG-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.88
Rot. Bonds5

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 4881117) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID4881117
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)NNC(=O)c1cccs1
InChIInChI=1S/C16H20N2O4S/c19-14(17-18-16(21)13-2-1-5-23-13)9-22-15(20)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,17,19)(H,18,21)
InChIKeyCNKKFISUVMLQTG-UHFFFAOYSA-N
XLogP1.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.88
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-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 4881117) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is O=C(COC(=O)CC1CC2CCC1C2)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is CNKKFISUVMLQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-14(17-18-16(21)13-2-1-5-23-13)9-22-15(20)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,17,19)(H,18,21).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 336.41 g/mol, XLogP of 1.88, 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-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 4881117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).