N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide

C18H21N3O4S — CID 8006630

IUPACN-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13(22)20-16-8-4-14(5-9-16)12-19-18(23)15-6-10-17(11-7-15)26(24,25)21(2)3/h4-11H,12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyGWXPFNDSRASQIM-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.83
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide

N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 8006630) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID8006630
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13(22)20-16-8-4-14(5-9-16)12-19-18(23)15-6-10-17(11-7-15)26(24,25)21(2)3/h4-11H,12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyGWXPFNDSRASQIM-UHFFFAOYSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide (CID 8006630) is N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide is CC(=O)Nc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is GWXPFNDSRASQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(22)20-16-8-4-14(5-9-16)12-19-18(23)15-6-10-17(11-7-15)26(24,25)21(2)3/h4-11H,12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide?
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 8006630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).