2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

C22H23N3O3S — CID 55933427

IUPAC2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2N(C)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3S/c1-23-29(27,28)19-12-8-9-17(15-19)16-24-22(26)20-13-6-7-14-21(20)25(2)18-10-4-3-5-11-18/h3-15,23H,16H2,1-2H3,(H,24,26)
InChIKeyXFSIBTIRLXYDIL-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.29
Rot. Bonds7

About 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 55933427) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
PubChem CID55933427
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2N(C)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3S/c1-23-29(27,28)19-12-8-9-17(15-19)16-24-22(26)20-13-6-7-14-21(20)25(2)18-10-4-3-5-11-18/h3-15,23H,16H2,1-2H3,(H,24,26)
InChIKeyXFSIBTIRLXYDIL-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55965688
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
CID 86872640
N-[2-(methylamino)propyl]-2-(N-methylanilino)benzamide
CID 120832793
N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55759056
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide
CID 55759549
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (CID 55933427) is 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is CNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2N(C)c2ccccc2)c1.
What is the InChIKey of 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is XFSIBTIRLXYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-23-29(27,28)19-12-8-9-17(15-19)16-24-22(26)20-13-6-7-14-21(20)25(2)18-10-4-3-5-11-18/h3-15,23H,16H2,1-2H3,(H,24,26).
What are the key properties of 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55933427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).