N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide

C16H17N3O4S — CID 108508841

IUPACN'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17N3O4S/c1-10-4-3-5-11(2)14(10)19-16(21)15(20)18-12-6-8-13(9-7-12)24(17,22)23/h3-9H,1-2H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyPFAKOSVPGKJRMD-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.53
Rot. Bonds3

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

N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide (PubChem CID 108508841) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
PubChem CID108508841
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17N3O4S/c1-10-4-3-5-11(2)14(10)19-16(21)15(20)18-12-6-8-13(9-7-12)24(17,22)23/h3-9H,1-2H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyPFAKOSVPGKJRMD-UHFFFAOYSA-N
XLogP1.53
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
CID 28554911
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide
CID 146152519
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-(4-sulfamoylanilino)prop-2-enamide
CID 108850704
N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508730
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide (CID 108508841) is N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is PFAKOSVPGKJRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-4-3-5-11(2)14(10)19-16(21)15(20)18-12-6-8-13(9-7-12)24(17,22)23/h3-9H,1-2H3,(H,18,20)(H,19,21)(H2,17,22,23).
What are the key properties of N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide?
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 347.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).