2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C31H51N5O8S2 — CID 22898252

IUPAC2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCC1OCCOOO/C=C\1SCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C31H51N5O8S2/c1-6-7-8-9-10-11-26-27(22-43-44-42-17-16-41-26)45-18-19-46(39,40)35-24-14-12-23(13-15-24)33-34-29(38)28(37)32-25-20-30(2,3)36-31(4,5)21-25/h12-15,22,25-26,33,35-36H,6-11,16-21H2,1-5H3,(H,32,37)(H,34,38)/b27-22+
InChIKeyQBBKKGZEQHIKNE-HPNDGRJYSA-N
MW685.91 g/mol
LogP4.51
Rot. Bonds15

About 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 22898252) has the molecular formula C31H51N5O8S2 and a molecular weight of 685.91 g/mol. Its IUPAC name is 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID22898252
Molecular FormulaC31H51N5O8S2
Molecular Weight685.91 g/mol
Exact Mass685.32
IUPAC Name2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCC1OCCOOO/C=C\1SCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C31H51N5O8S2/c1-6-7-8-9-10-11-26-27(22-43-44-42-17-16-41-26)45-18-19-46(39,40)35-24-14-12-23(13-15-24)33-34-29(38)28(37)32-25-20-30(2,3)36-31(4,5)21-25/h12-15,22,25-26,33,35-36H,6-11,16-21H2,1-5H3,(H,32,37)(H,34,38)/b27-22+
InChIKeyQBBKKGZEQHIKNE-HPNDGRJYSA-N
XLogP4.51
TPSA165.35 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.91
LogP ≤ 54.51
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide with MolForge

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Related Compounds

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CID 23387049
N-(2,2,6,6-tetramethylpiperidin-4-yl)dodecane-1-sulfonamide
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1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
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CID 71590626
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CID 108508541
4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 22898252) is 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CCCCCCCC1OCCOOO/C=C\1SCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is QBBKKGZEQHIKNE-HPNDGRJYSA-N. The full InChI is InChI=1S/C31H51N5O8S2/c1-6-7-8-9-10-11-26-27(22-43-44-42-17-16-41-26)45-18-19-46(39,40)35-24-14-12-23(13-15-24)33-34-29(38)28(37)32-25-20-30(2,3)36-31(4,5)21-25/h12-15,22,25-26,33,35-36H,6-11,16-21H2,1-5H3,(H,32,37)(H,34,38)/b27-22+.
What are the key properties of 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 685.91 g/mol, XLogP of 4.51, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[[(8E)-7-heptyl-5,7-dihydro-4H-1,2,3,6-tetraoxonin-8-yl]sulfanyl]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 22898252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).