2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide

C12H17NO2S — CID 115760554

IUPAC2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
SMILESCSC(C)CNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO2S/c1-9(16-2)8-13-12(15)7-10-4-3-5-11(14)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKeyRCEZJQSRROLCOC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.80
Rot. Bonds5

About 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide

2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide (PubChem CID 115760554) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
PubChem CID115760554
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
SMILESCSC(C)CNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO2S/c1-9(16-2)8-13-12(15)7-10-4-3-5-11(14)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKeyRCEZJQSRROLCOC-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474342
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114295749
2-[2-(2-methylsulfanylpropylamino)-2-oxoethyl]benzoic acid
CID 113466336
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087
2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
CID 106502147
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 113229806
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide (CID 115760554) is 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide is CSC(C)CNC(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide?
The InChIKey is RCEZJQSRROLCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(16-2)8-13-12(15)7-10-4-3-5-11(14)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide?
2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 115760554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).