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

C15H24N2O3S — CID 113148459

IUPACN-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)10-17(21(4,19)20)12-15(18)16(3)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyQOKRDPMCKPYCAC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.56
Rot. Bonds7

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

N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (PubChem CID 113148459) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
PubChem CID113148459
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)10-17(21(4,19)20)12-15(18)16(3)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyQOKRDPMCKPYCAC-UHFFFAOYSA-N
XLogP1.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136884
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-benzyl-N-methylacetamide
CID 113151369
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
CID 113147870
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133213770
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (CID 113148459) is N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is CC(C)CN(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The InChIKey is QOKRDPMCKPYCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(2)10-17(21(4,19)20)12-15(18)16(3)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3.
What are the key properties of N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.56, 7 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-[2-methylpropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113148459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).