N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide

C13H19NO4S — CID 103822579

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
SMILESCSCC(C)(O)CNC(=O)COc1ccccc1O
InChIInChI=1S/C13H19NO4S/c1-13(17,9-19-2)8-14-12(16)7-18-11-6-4-3-5-10(11)15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16)
InChIKeyIBAOKFORJMCLNR-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.00
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide (PubChem CID 103822579) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
PubChem CID103822579
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
SMILESCSCC(C)(O)CNC(=O)COc1ccccc1O
InChIInChI=1S/C13H19NO4S/c1-13(17,9-19-2)8-14-12(16)7-18-11-6-4-3-5-10(11)15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16)
InChIKeyIBAOKFORJMCLNR-UHFFFAOYSA-N
XLogP1.00
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)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-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 65113679
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90523049
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 106289602
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-methylphenoxy)acetamide
CID 103839647
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 66170658
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide (CID 103822579) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide is CSCC(C)(O)CNC(=O)COc1ccccc1O.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is IBAOKFORJMCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-13(17,9-19-2)8-14-12(16)7-18-11-6-4-3-5-10(11)15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 285.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 103822579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).