N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide

C23H24N2O3S — CID 1312535

IUPACN,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S/c1-24(29(2,27)28)22-15-13-21(14-16-22)23(26)25(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3
InChIKeyJXRPFHGXSKDFCB-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.92
Rot. Bonds7

About N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide

N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 1312535) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID1312535
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S/c1-24(29(2,27)28)22-15-13-21(14-16-22)23(26)25(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3
InChIKeyJXRPFHGXSKDFCB-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119642
N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide
CID 8991375
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
(2S)-N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100733604
N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133228152
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide (CID 1312535) is N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is JXRPFHGXSKDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-24(29(2,27)28)22-15-13-21(14-16-22)23(26)25(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide?
N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 1312535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).