N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide

C36H57N7O7S2 — CID 23387049

IUPACN-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1
InChIInChI=1S/C36H57N7O7S2/c1-6-7-8-9-10-11-12-13-14-15-19-32(44)42-52(49,50)41-29-17-16-18-31(24-29)51(47,48)40-28-22-20-27(21-23-28)38-39-34(46)33(45)37-30-25-35(2,3)43-36(4,5)26-30/h16-18,20-24,30,38,40-41,43H,6-15,19,25-26H2,1-5H3,(H,37,45)(H,39,46)(H,42,44)
InChIKeyKOCVAWYPEFAZAA-UHFFFAOYSA-N
MW764.03 g/mol
LogP5.44
Rot. Bonds20

About N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide

N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide (PubChem CID 23387049) has the molecular formula C36H57N7O7S2 and a molecular weight of 764.03 g/mol. Its IUPAC name is N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide.

Molecular Properties

Compound NameN-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide
PubChem CID23387049
Molecular FormulaC36H57N7O7S2
Molecular Weight764.03 g/mol
Exact Mass763.38
IUPAC NameN-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1
InChIInChI=1S/C36H57N7O7S2/c1-6-7-8-9-10-11-12-13-14-15-19-32(44)42-52(49,50)41-29-17-16-18-31(24-29)51(47,48)40-28-22-20-27(21-23-28)38-39-34(46)33(45)37-30-25-35(2,3)43-36(4,5)26-30/h16-18,20-24,30,38,40-41,43H,6-15,19,25-26H2,1-5H3,(H,37,45)(H,39,46)(H,42,44)
InChIKeyKOCVAWYPEFAZAA-UHFFFAOYSA-N
XLogP5.44
TPSA203.70 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.03
LogP ≤ 55.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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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Related Compounds

2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide
CID 18711113
2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 22942936
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
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17498159
N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide
CID 22887406
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
CID 54790569
4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide
CID 18737843
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]hexanamide
CID 25469711
N-cyclopropyl-3-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109062324
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
2-[2-[4-[[3-[[2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 20725368

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide?
The IUPAC name of N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide (CID 23387049) is N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide.
What is the SMILES notation for N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide?
The canonical SMILES for N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide is CCCCCCCCCCCCC(=O)NS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1.
What is the InChIKey of N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide?
The InChIKey is KOCVAWYPEFAZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N7O7S2/c1-6-7-8-9-10-11-12-13-14-15-19-32(44)42-52(49,50)41-29-17-16-18-31(24-29)51(47,48)40-28-22-20-27(21-23-28)38-39-34(46)33(45)37-30-25-35(2,3)43-36(4,5)26-30/h16-18,20-24,30,38,40-41,43H,6-15,19,25-26H2,1-5H3,(H,37,45)(H,39,46)(H,42,44).
What are the key properties of N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide?
N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide has a molecular weight of 764.03 g/mol, XLogP of 5.44, 20 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide is sourced from PubChem (CID 23387049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).