2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C18H23N3O3S — CID 4535447

IUPAC2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-20(2)25(23,24)17-11-7-10-16(12-17)19-18(22)14-21(3)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,19,22)
InChIKeyGKUATSRPEOVIQE-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.01
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4535447) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4535447
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-20(2)25(23,24)17-11-7-10-16(12-17)19-18(22)14-21(3)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,19,22)
InChIKeyGKUATSRPEOVIQE-UHFFFAOYSA-N
XLogP2.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4535447) is 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is GKUATSRPEOVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(2)25(23,24)17-11-7-10-16(12-17)19-18(22)14-21(3)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,19,22).
What are the key properties of 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4535447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).