N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide

C23H24N2O3S — CID 19062402

IUPACN,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18-21(14-9-15-22(18)24-29(2,27)28)23(26)25(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,24H,16-17H2,1-2H3
InChIKeyKFKHPWSURFJFCU-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.21
Rot. Bonds7

About N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide

N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide (PubChem CID 19062402) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide
PubChem CID19062402
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18-21(14-9-15-22(18)24-29(2,27)28)23(26)25(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,24H,16-17H2,1-2H3
InChIKeyKFKHPWSURFJFCU-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
CID 41448856
N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
CID 41448766
N-[3-[benzyl-[(4-phenoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
CID 18512392
N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 3608681
N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 60591541
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892098
N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide
CID 3512109
[4-[[benzyl-(2-chlorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3909217
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 31236388

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide?
The IUPAC name of N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide (CID 19062402) is N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide.
What is the SMILES notation for N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide?
The canonical SMILES for N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide is Cc1c(NS(C)(=O)=O)cccc1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide?
The InChIKey is KFKHPWSURFJFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18-21(14-9-15-22(18)24-29(2,27)28)23(26)25(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,24H,16-17H2,1-2H3.
What are the key properties of N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide?
N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide has a molecular weight of 408.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide is sourced from PubChem (CID 19062402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).