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

C37H66N6O9S2 — CID 18725040

IUPAC2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCOCCOCCSCC(=O)NCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C37H66N6O9S2/c1-6-7-8-9-10-11-17-49-18-19-50-20-21-51-22-23-52-24-25-53-29-33(44)38-16-26-54(47,48)42-31-14-12-30(13-15-31)40-41-35(46)34(45)39-32-27-36(2,3)43-37(4,5)28-32/h12-15,32,40,42-43H,6-11,16-29H2,1-5H3,(H,38,44)(H,39,45)(H,41,46)
InChIKeyMTEITZWRBJBOGL-UHFFFAOYSA-N
MW803.10 g/mol
LogP3.57
Rot. Bonds29

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

2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 18725040) has the molecular formula C37H66N6O9S2 and a molecular weight of 803.10 g/mol. Its IUPAC name is 2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]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-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID18725040
Molecular FormulaC37H66N6O9S2
Molecular Weight803.10 g/mol
Exact Mass802.43
IUPAC Name2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCOCCOCCSCC(=O)NCCS(=O)(=O)Nc1ccc(NNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C37H66N6O9S2/c1-6-7-8-9-10-11-17-49-18-19-50-20-21-51-22-23-52-24-25-53-29-33(44)38-16-26-54(47,48)42-31-14-12-30(13-15-31)40-41-35(46)34(45)39-32-27-36(2,3)43-37(4,5)28-32/h12-15,32,40,42-43H,6-11,16-29H2,1-5H3,(H,38,44)(H,39,45)(H,41,46)
InChIKeyMTEITZWRBJBOGL-UHFFFAOYSA-N
XLogP3.57
TPSA194.45 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500803.10
LogP ≤ 53.57
H-Bond Donors ≤ 56
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]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-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 18725040) is 2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]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-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]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-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CCCCCCCCOCCOCCOCCOCCSCC(=O)NCCS(=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-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is MTEITZWRBJBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66N6O9S2/c1-6-7-8-9-10-11-17-49-18-19-50-20-21-51-22-23-52-24-25-53-29-33(44)38-16-26-54(47,48)42-31-14-12-30(13-15-31)40-41-35(46)34(45)39-32-27-36(2,3)43-37(4,5)28-32/h12-15,32,40,42-43H,6-11,16-29H2,1-5H3,(H,38,44)(H,39,45)(H,41,46).
What are the key properties of 2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 803.10 g/mol, XLogP of 3.57, 29 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]ethylsulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 18725040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).