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

C42H69N5O9S2 — CID 18740274

IUPAC2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCOCCOCCOCCSCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C42H69N5O9S2/c1-6-7-8-9-10-11-20-52-21-22-53-23-24-54-25-26-55-27-28-56-29-30-57-33-34-12-18-38(19-13-34)58(50,51)46-36-16-14-35(15-17-36)44-45-40(49)39(48)43-37-31-41(2,3)47-42(4,5)32-37/h12-19,37,44,46-47H,6-11,20-33H2,1-5H3,(H,43,48)(H,45,49)
InChIKeyMLRVPKQFRGPDBY-UHFFFAOYSA-N
MW852.17 g/mol
LogP6.03
Rot. Bonds30

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

2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 18740274) has the molecular formula C42H69N5O9S2 and a molecular weight of 852.17 g/mol. Its IUPAC name is 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID18740274
Molecular FormulaC42H69N5O9S2
Molecular Weight852.17 g/mol
Exact Mass851.45
IUPAC Name2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCOCCOCCOCCSCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C42H69N5O9S2/c1-6-7-8-9-10-11-20-52-21-22-53-23-24-54-25-26-55-27-28-56-29-30-57-33-34-12-18-38(19-13-34)58(50,51)46-36-16-14-35(15-17-36)44-45-40(49)39(48)43-37-31-41(2,3)47-42(4,5)32-37/h12-19,37,44,46-47H,6-11,20-33H2,1-5H3,(H,43,48)(H,45,49)
InChIKeyMLRVPKQFRGPDBY-UHFFFAOYSA-N
XLogP6.03
TPSA174.58 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.17
LogP ≤ 56.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

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-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 18740274) is 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CCCCCCCCOCCOCCOCCOCCOCCSCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1.
What is the InChIKey of 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is MLRVPKQFRGPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H69N5O9S2/c1-6-7-8-9-10-11-20-52-21-22-53-23-24-54-25-26-55-27-28-56-29-30-57-33-34-12-18-38(19-13-34)58(50,51)46-36-16-14-35(15-17-36)44-45-40(49)39(48)43-37-31-41(2,3)47-42(4,5)32-37/h12-19,37,44,46-47H,6-11,20-33H2,1-5H3,(H,43,48)(H,45,49).
What are the key properties of 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 852.17 g/mol, XLogP of 6.03, 30 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 18740274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).