N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide

C15H23N3O4S — CID 17248911

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-5-18(6-2)15(20)14(19)16-11-12-7-9-13(10-8-12)23(21,22)17(3)4/h7-10H,5-6,11H2,1-4H3,(H,16,19)
InChIKeyGQWGWUBNFLTKHX-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.42
Rot. Bonds6

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide (PubChem CID 17248911) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
PubChem CID17248911
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-5-18(6-2)15(20)14(19)16-11-12-7-9-13(10-8-12)23(21,22)17(3)4/h7-10H,5-6,11H2,1-4H3,(H,16,19)
InChIKeyGQWGWUBNFLTKHX-UHFFFAOYSA-N
XLogP0.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
CID 17248855
tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
CID 69244104
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546081
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
CID 111596241
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 47038787
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 47038741

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide (CID 17248911) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide?
The InChIKey is GQWGWUBNFLTKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-5-18(6-2)15(20)14(19)16-11-12-7-9-13(10-8-12)23(21,22)17(3)4/h7-10H,5-6,11H2,1-4H3,(H,16,19).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide has a molecular weight of 341.43 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide is sourced from PubChem (CID 17248911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).