2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide

C14H21NO2S — CID 65112666

IUPAC2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-14(2,17)11-15-13(16)10-18-9-12-7-5-4-6-8-12/h4-8,17H,3,9-11H2,1-2H3,(H,15,16)
InChIKeyYQIUGTIKKQHJHW-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.20
Rot. Bonds7

About 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide

2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide (PubChem CID 65112666) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
PubChem CID65112666
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-14(2,17)11-15-13(16)10-18-9-12-7-5-4-6-8-12/h4-8,17H,3,9-11H2,1-2H3,(H,15,16)
InChIKeyYQIUGTIKKQHJHW-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
3-hydroxy-3-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 66001920
3-hydroxy-3-methyl-4-[[2-(2-phenylethylsulfanyl)acetyl]amino]butanoic acid
CID 66001112
2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide
CID 9289997
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109835
2-benzylsulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787591
2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100733886
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103843449
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide (CID 65112666) is 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide is CCC(C)(O)CNC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide?
The InChIKey is YQIUGTIKKQHJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-14(2,17)11-15-13(16)10-18-9-12-7-5-4-6-8-12/h4-8,17H,3,9-11H2,1-2H3,(H,15,16).
What are the key properties of 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide?
2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 65112666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).