2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide

C9H19NO4S — CID 112605102

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,3)14-7-8(11)10-5-6-15(4,12)13/h5-7H2,1-4H3,(H,10,11)
InChIKeyDYXJXTXUAVFATB-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.04
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide (PubChem CID 112605102) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
PubChem CID112605102
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,3)14-7-8(11)10-5-6-15(4,12)13/h5-7H2,1-4H3,(H,10,11)
InChIKeyDYXJXTXUAVFATB-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylsulfamoyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944363
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide
CID 58895987
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107300430
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604362
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605413
2-methoxy-N-(3-methylsulfonylpropyl)acetamide
CID 61149401

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide (CID 112605102) is 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide is CC(C)(C)OCC(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is DYXJXTXUAVFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(2,3)14-7-8(11)10-5-6-15(4,12)13/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 237.32 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 112605102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).