N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide

C17H21NO3S — CID 71787198

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
SMILESCSCC(C)(O)CNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO3S/c1-17(20,12-22-2)11-18-16(19)10-21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,20H,10-12H2,1-2H3,(H,18,19)
InChIKeyMGLXTQFAMOSFRL-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.45
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 71787198) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
PubChem CID71787198
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
SMILESCSCC(C)(O)CNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO3S/c1-17(20,12-22-2)11-18-16(19)10-21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,20H,10-12H2,1-2H3,(H,18,19)
InChIKeyMGLXTQFAMOSFRL-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide
CID 95984383
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 111483554
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
CID 90599167
2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90498004
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90522997
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide (CID 71787198) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide is CSCC(C)(O)CNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is MGLXTQFAMOSFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-17(20,12-22-2)11-18-16(19)10-21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,20H,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 71787198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).