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

C16H24N2O4S — CID 113149620

IUPACN-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-17(11-14-7-4-3-5-8-14)16(19)13-18(23(2,20)21)12-15-9-6-10-22-15/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeyXPSFDIFYCOLMKL-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.09
Rot. Bonds7

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

N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 113149620) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID113149620
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-17(11-14-7-4-3-5-8-14)16(19)13-18(23(2,20)21)12-15-9-6-10-22-15/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeyXPSFDIFYCOLMKL-UHFFFAOYSA-N
XLogP1.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5038630
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
N'-[benzyl(methyl)sulfamoyl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 131935981
(2S)-2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 125046408
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4174401
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 113149620) is N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is CN(Cc1ccccc1)C(=O)CN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is XPSFDIFYCOLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-17(11-14-7-4-3-5-8-14)16(19)13-18(23(2,20)21)12-15-9-6-10-22-15/h3-5,7-8,15H,6,9-13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 340.44 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113149620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).