4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide

C18H23N3O3S — CID 24525671

IUPAC4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-19-18(22)15-7-11-17(12-8-15)25(23,24)21(4)13-14-5-9-16(10-6-14)20(2)3/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyNRTTZQFWLSPOFY-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.93
Rot. Bonds6

About 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide

4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide (PubChem CID 24525671) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
PubChem CID24525671
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-19-18(22)15-7-11-17(12-8-15)25(23,24)21(4)13-14-5-9-16(10-6-14)20(2)3/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyNRTTZQFWLSPOFY-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534668
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 26722330
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 3937488
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide (CID 24525671) is 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide?
The InChIKey is NRTTZQFWLSPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-19-18(22)15-7-11-17(12-8-15)25(23,24)21(4)13-14-5-9-16(10-6-14)20(2)3/h5-12H,13H2,1-4H3,(H,19,22).
What are the key properties of 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide?
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide has a molecular weight of 361.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24525671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).