3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

C23H24N2O3S — CID 130431449

IUPAC3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-6-12-22(13-7-17)29(27,28)25-16-20-10-8-19(9-11-20)15-24-23(26)21-5-3-4-18(2)14-21/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyMLDKOCHRJWQDGX-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.71
Rot. Bonds7

About 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (PubChem CID 130431449) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
PubChem CID130431449
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-6-12-22(13-7-17)29(27,28)25-16-20-10-8-19(9-11-20)15-24-23(26)21-5-3-4-18(2)14-21/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyMLDKOCHRJWQDGX-UHFFFAOYSA-N
XLogP3.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (CID 130431449) is 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The InChIKey is MLDKOCHRJWQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-6-12-22(13-7-17)29(27,28)25-16-20-10-8-19(9-11-20)15-24-23(26)21-5-3-4-18(2)14-21/h3-14,25H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 130431449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).