2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C43H70N6O9S2 — CID 22964957

IUPAC2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCCCOCCOSCC(=O)Nc1c(C)ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1C
InChIInChI=1S/C43H70N6O9S2/c1-8-9-10-11-12-13-22-55-25-26-56-23-14-15-24-57-27-28-58-59-31-38(50)45-39-32(2)16-21-37(33(39)3)60(53,54)48-35-19-17-34(18-20-35)46-47-41(52)40(51)44-36-29-42(4,5)49-43(6,7)30-36/h16-21,36,46,48-49H,8-15,22-31H2,1-7H3,(H,44,51)(H,45,50)(H,47,52)
InChIKeyXEDYXMQPXPVRJL-UHFFFAOYSA-N
MW879.20 g/mol
LogP6.77
Rot. Bonds28

About 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 22964957) has the molecular formula C43H70N6O9S2 and a molecular weight of 879.20 g/mol. Its IUPAC name is 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID22964957
Molecular FormulaC43H70N6O9S2
Molecular Weight879.20 g/mol
Exact Mass878.46
IUPAC Name2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCCCCOCCOCCCCOCCOSCC(=O)Nc1c(C)ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1C
InChIInChI=1S/C43H70N6O9S2/c1-8-9-10-11-12-13-22-55-25-26-56-23-14-15-24-57-27-28-58-59-31-38(50)45-39-32(2)16-21-37(33(39)3)60(53,54)48-35-19-17-34(18-20-35)46-47-41(52)40(51)44-36-29-42(4,5)49-43(6,7)30-36/h16-21,36,46,48-49H,8-15,22-31H2,1-7H3,(H,44,51)(H,45,50)(H,47,52)
InChIKeyXEDYXMQPXPVRJL-UHFFFAOYSA-N
XLogP6.77
TPSA194.45 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500879.20
LogP ≤ 56.77
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 22964957) is 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CCCCCCCCOCCOCCCCOCCOSCC(=O)Nc1c(C)ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1C.
What is the InChIKey of 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is XEDYXMQPXPVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H70N6O9S2/c1-8-9-10-11-12-13-22-55-25-26-56-23-14-15-24-57-27-28-58-59-31-38(50)45-39-32(2)16-21-37(33(39)3)60(53,54)48-35-19-17-34(18-20-35)46-47-41(52)40(51)44-36-29-42(4,5)49-43(6,7)30-36/h16-21,36,46,48-49H,8-15,22-31H2,1-7H3,(H,44,51)(H,45,50)(H,47,52).
What are the key properties of 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 879.20 g/mol, XLogP of 6.77, 28 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[4-(2-octoxyethoxy)butoxy]ethoxysulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 22964957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).