N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide

C12H18N2O3S — CID 30464576

IUPACN-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-13(9-11-7-5-4-6-8-11)12(15)10-14(2)18(3,16)17/h4-8H,9-10H2,1-3H3
InChIKeyOJCZLFRHWUGDHM-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.54
Rot. Bonds5

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

N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 30464576) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID30464576
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-13(9-11-7-5-4-6-8-11)12(15)10-14(2)18(3,16)17/h4-8H,9-10H2,1-3H3
InChIKeyOJCZLFRHWUGDHM-UHFFFAOYSA-N
XLogP0.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]benzoic acid
CID 119225886
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459
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CID 113147870
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
N-benzyl-2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide
CID 1095173
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfonylacetic acid
CID 82180460
N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 30168992

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide (CID 30464576) is N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide is CN(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is OJCZLFRHWUGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-13(9-11-7-5-4-6-8-11)12(15)10-14(2)18(3,16)17/h4-8H,9-10H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 30464576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).