N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide

C11H15NO3S — CID 63648820

IUPACN-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)NCCO)cc1
InChIInChI=1S/C11H15NO3S/c1-16-10-4-2-9(3-5-10)15-8-11(14)12-6-7-13/h2-5,13H,6-8H2,1H3,(H,12,14)
InChIKeyXERWVMGDJSLZOC-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.90
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide

N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 63648820) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID63648820
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)NCCO)cc1
InChIInChI=1S/C11H15NO3S/c1-16-10-4-2-9(3-5-10)15-8-11(14)12-6-7-13/h2-5,13H,6-8H2,1H3,(H,12,14)
InChIKeyXERWVMGDJSLZOC-UHFFFAOYSA-N
XLogP0.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
CID 134394160
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893707
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 32941425
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 26217402
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N-(2-hydroxyethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4618200
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide (CID 63648820) is N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide is CSc1ccc(OCC(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is XERWVMGDJSLZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16-10-4-2-9(3-5-10)15-8-11(14)12-6-7-13/h2-5,13H,6-8H2,1H3,(H,12,14).
What are the key properties of N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide?
N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 241.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 63648820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).