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

C15H22N2O4S — CID 113149615

IUPACN-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)CC1CCCO1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)17(11-14-8-5-9-21-14)12-15(18)16-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,16,18)
InChIKeyMEHFRMADZMNRAU-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.74
Rot. Bonds7

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

N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 113149615) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID113149615
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)CC1CCCO1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)17(11-14-8-5-9-21-14)12-15(18)16-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,16,18)
InChIKeyMEHFRMADZMNRAU-UHFFFAOYSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137961
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149638
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149708
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149739
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124748989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 113149615) is N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)CC1CCCO1.
What is the InChIKey of N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is MEHFRMADZMNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)17(11-14-8-5-9-21-14)12-15(18)16-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,16,18).
What are the key properties of N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 326.42 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113149615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).