N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide

C19H24BrN3O3S — CID 38256249

IUPACN-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c(Br)c1
InChIInChI=1S/C19H24BrN3O3S/c1-12-6-7-17(16(20)8-12)22-19(24)11-21-18-10-15(9-13(2)14(18)3)27(25,26)23(4)5/h6-10,21H,11H2,1-5H3,(H,22,24)
InChIKeyJPCSNLNDHARWTL-UHFFFAOYSA-N
MW454.39 g/mol
LogP3.68
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide

N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide (PubChem CID 38256249) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
PubChem CID38256249
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c(Br)c1
InChIInChI=1S/C19H24BrN3O3S/c1-12-6-7-17(16(20)8-12)22-19(24)11-21-18-10-15(9-13(2)14(18)3)27(25,26)23(4)5/h6-10,21H,11H2,1-5H3,(H,22,24)
InChIKeyJPCSNLNDHARWTL-UHFFFAOYSA-N
XLogP3.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
CID 38255919
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 34079032
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
CID 109010815

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide (CID 38256249) is N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide is Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
The InChIKey is JPCSNLNDHARWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-12-6-7-17(16(20)8-12)22-19(24)11-21-18-10-15(9-13(2)14(18)3)27(25,26)23(4)5/h6-10,21H,11H2,1-5H3,(H,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide has a molecular weight of 454.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide is sourced from PubChem (CID 38256249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).