N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide

C24H26N2O3S — CID 126109198

IUPACN,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)26(19-23-15-9-4-10-16-23)20-24(27)25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16H,17-20H2,1H3
InChIKeyBONZMOSUMWSXRQ-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.68
Rot. Bonds9

About N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide

N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide (PubChem CID 126109198) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
PubChem CID126109198
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)26(19-23-15-9-4-10-16-23)20-24(27)25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16H,17-20H2,1H3
InChIKeyBONZMOSUMWSXRQ-UHFFFAOYSA-N
XLogP3.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373155
2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonylamino]acetic acid
CID 24761777
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N,N-dibenzyl-2-(N-methylanilino)acetamide
CID 102294551
2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 133213745

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide (CID 126109198) is N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide?
The InChIKey is BONZMOSUMWSXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-30(28,29)26(19-23-15-9-4-10-16-23)20-24(27)25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16H,17-20H2,1H3.
What are the key properties of N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide?
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 126109198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).