N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide

C13H19N3O4S — CID 108508773

IUPACN'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H19N3O4S/c1-3-4-9-16(2)13(18)12(17)15-10-5-7-11(8-6-10)21(14,19)20/h5-8H,3-4,9H2,1-2H3,(H,15,17)(H2,14,19,20)
InChIKeyLBVJNMUPMOUEKT-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.53
Rot. Bonds5

About N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide

N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide (PubChem CID 108508773) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
PubChem CID108508773
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H19N3O4S/c1-3-4-9-16(2)13(18)12(17)15-10-5-7-11(8-6-10)21(14,19)20/h5-8H,3-4,9H2,1-2H3,(H,15,17)(H2,14,19,20)
InChIKeyLBVJNMUPMOUEKT-UHFFFAOYSA-N
XLogP0.53
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
CID 47334598
N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108528580
N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508740
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
CID 108528510
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N'-butyl-N'-methyl-N-(3-methylsulfanylphenyl)oxamide
CID 47334614
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 61448189

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide (CID 108508773) is N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide is CCCCN(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is LBVJNMUPMOUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-3-4-9-16(2)13(18)12(17)15-10-5-7-11(8-6-10)21(14,19)20/h5-8H,3-4,9H2,1-2H3,(H,15,17)(H2,14,19,20).
What are the key properties of N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide?
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 313.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).