2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C41H67N5O8S — CID 22942940

IUPAC2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCOCCOCCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1CCOCCOCCCCC
InChIInChI=1S/C41H67N5O8S/c1-7-9-11-21-51-25-27-53-23-19-32-13-18-37(29-33(32)20-24-54-28-26-52-22-12-10-8-2)55(49,50)45-35-16-14-34(15-17-35)43-44-39(48)38(47)42-36-30-40(3,4)46-41(5,6)31-36/h13-18,29,36,43,45-46H,7-12,19-28,30-31H2,1-6H3,(H,42,47)(H,44,48)
InChIKeyLWUPPQABZBWNRB-UHFFFAOYSA-N
MW790.08 g/mol
LogP5.89
Rot. Bonds26

About 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 22942940) has the molecular formula C41H67N5O8S and a molecular weight of 790.08 g/mol. Its IUPAC name is 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID22942940
Molecular FormulaC41H67N5O8S
Molecular Weight790.08 g/mol
Exact Mass789.47
IUPAC Name2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCCCCCOCCOCCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1CCOCCOCCCCC
InChIInChI=1S/C41H67N5O8S/c1-7-9-11-21-51-25-27-53-23-19-32-13-18-37(29-33(32)20-24-54-28-26-52-22-12-10-8-2)55(49,50)45-35-16-14-34(15-17-35)43-44-39(48)38(47)42-36-30-40(3,4)46-41(5,6)31-36/h13-18,29,36,43,45-46H,7-12,19-28,30-31H2,1-6H3,(H,42,47)(H,44,48)
InChIKeyLWUPPQABZBWNRB-UHFFFAOYSA-N
XLogP5.89
TPSA165.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.08
LogP ≤ 55.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 22942940) is 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CCCCCOCCOCCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1CCOCCOCCCCC.
What is the InChIKey of 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is LWUPPQABZBWNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H67N5O8S/c1-7-9-11-21-51-25-27-53-23-19-32-13-18-37(29-33(32)20-24-54-28-26-52-22-12-10-8-2)55(49,50)45-35-16-14-34(15-17-35)43-44-39(48)38(47)42-36-30-40(3,4)46-41(5,6)31-36/h13-18,29,36,43,45-46H,7-12,19-28,30-31H2,1-6H3,(H,42,47)(H,44,48).
What are the key properties of 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 790.08 g/mol, XLogP of 5.89, 26 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[3,4-bis[2-(2-pentoxyethoxy)ethyl]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 22942940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).