2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C35H63N5O8S2 — CID 21344738

IUPAC2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCOCCOCCSCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C35H63N5O8S2/c1-6-7-8-9-10-11-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50(43,44)39-30-14-12-29(13-15-30)37-38-33(42)32(41)36-31-27-34(2,3)40-35(4,5)28-31/h12-15,31,37,39-40H,6-11,16-28H2,1-5H3,(H,36,41)(H,38,42)
InChIKeyONYXOFIPGDAYHJ-UHFFFAOYSA-N
MW746.05 g/mol
LogP4.46
Rot. Bonds27

About 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 21344738) has the molecular formula C35H63N5O8S2 and a molecular weight of 746.05 g/mol. Its IUPAC name is 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID21344738
Molecular FormulaC35H63N5O8S2
Molecular Weight746.05 g/mol
Exact Mass745.41
IUPAC Name2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCOCCOCCSCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C35H63N5O8S2/c1-6-7-8-9-10-11-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50(43,44)39-30-14-12-29(13-15-30)37-38-33(42)32(41)36-31-27-34(2,3)40-35(4,5)28-31/h12-15,31,37,39-40H,6-11,16-28H2,1-5H3,(H,36,41)(H,38,42)
InChIKeyONYXOFIPGDAYHJ-UHFFFAOYSA-N
XLogP4.46
TPSA165.35 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.05
LogP ≤ 54.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 21344738) is 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CCCCCCCCOCCOCCOCCOCCSCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is ONYXOFIPGDAYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H63N5O8S2/c1-6-7-8-9-10-11-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50(43,44)39-30-14-12-29(13-15-30)37-38-33(42)32(41)36-31-27-34(2,3)40-35(4,5)28-31/h12-15,31,37,39-40H,6-11,16-28H2,1-5H3,(H,36,41)(H,38,42).
What are the key properties of 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 746.05 g/mol, XLogP of 4.46, 27 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 21344738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).