N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide

C18H23NO3S — CID 95984383

IUPACN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide
SMILESCSCC[C@](C)(O)CNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3S/c1-18(21,9-10-23-2)13-19-17(20)12-22-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyZDHGAQYJTUHJNO-SFHVURJKSA-N
MW333.45 g/mol
LogP2.84
Rot. Bonds8

About N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 95984383) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide
PubChem CID95984383
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide
SMILESCSCC[C@](C)(O)CNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3S/c1-18(21,9-10-23-2)13-19-17(20)12-22-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyZDHGAQYJTUHJNO-SFHVURJKSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 111483554
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
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-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide (CID 95984383) is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide is CSCC[C@](C)(O)CNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is ZDHGAQYJTUHJNO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(21,9-10-23-2)13-19-17(20)12-22-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,19,20)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide?
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 333.45 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 95984383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).