2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide

C13H19NO2S — CID 54904297

IUPAC2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESCC(C)(C)SCC(=O)NCc1cccc(O)c1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)17-9-12(16)14-8-10-5-4-6-11(15)7-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyJHQDGYHAENJQHJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.54
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide

2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 54904297) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID54904297
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESCC(C)(C)SCC(=O)NCc1cccc(O)c1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)17-9-12(16)14-8-10-5-4-6-11(15)7-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyJHQDGYHAENJQHJ-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-tert-butylsulfanylacetamide
CID 60604979
N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
CID 63821825
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
N-[(3-hydroxyphenyl)methyl]-2-methyl-2-phenylpropanamide
CID 61018708
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
6-[(3-hydroxyphenyl)methylamino]-6-oxohexanoic acid
CID 110483460
benzyl 2-[(2-tert-butylsulfanylacetyl)amino]acetate
CID 78786053
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 29288985
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide (CID 54904297) is 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide is CC(C)(C)SCC(=O)NCc1cccc(O)c1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is JHQDGYHAENJQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,3)17-9-12(16)14-8-10-5-4-6-11(15)7-10/h4-7,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide?
2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 54904297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).