N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C17H26N4O4S — CID 108508719

IUPACN'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C17H26N4O4S/c1-16(2)9-12(10-17(3,4)21-16)20-15(23)14(22)19-11-5-7-13(8-6-11)26(18,24)25/h5-8,12,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyZRQKHORZFYVXNQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.70
Rot. Bonds3

About N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 108508719) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID108508719
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C17H26N4O4S/c1-16(2)9-12(10-17(3,4)21-16)20-15(23)14(22)19-11-5-7-13(8-6-11)26(18,24)25/h5-8,12,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyZRQKHORZFYVXNQ-UHFFFAOYSA-N
XLogP0.70
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 108508719) is N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1.
What is the InChIKey of N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is ZRQKHORZFYVXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-16(2)9-12(10-17(3,4)21-16)20-15(23)14(22)19-11-5-7-13(8-6-11)26(18,24)25/h5-8,12,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)(H2,18,24,25).
What are the key properties of N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 382.49 g/mol, XLogP of 0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108508719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).