N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide

C11H15NO2S — CID 71981298

IUPACN-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSc1ccccc1O
InChIInChI=1S/C11H15NO2S/c1-9(13)12-7-4-8-15-11-6-3-2-5-10(11)14/h2-3,5-6,14H,4,7-8H2,1H3,(H,12,13)
InChIKeyRPJKFJSQMPEGKB-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.01
Rot. Bonds5

About N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide

N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide (PubChem CID 71981298) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
PubChem CID71981298
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSc1ccccc1O
InChIInChI=1S/C11H15NO2S/c1-9(13)12-7-4-8-15-11-6-3-2-5-10(11)14/h2-3,5-6,14H,4,7-8H2,1H3,(H,12,13)
InChIKeyRPJKFJSQMPEGKB-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
2-(2-acetamidoethylsulfanyl)benzoic acid
CID 43241365
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
2-tetracosylsulfanylphenol
CID 139712021
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
2-(4-aminobutylsulfanyl)phenol
CID 84667847
N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
CID 70466326
S-(2-acetamidoethyl) (3S)-3-hydroxy-3-phenylpropanethioate
CID 10967487
2-[3-[[3-(4-hydroxyphenyl)-3-phenylpropyl]amino]propylsulfanyl]phenol
CID 70563756
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide?
The IUPAC name of N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide (CID 71981298) is N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide.
What is the SMILES notation for N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide?
The canonical SMILES for N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide is CC(=O)NCCCSc1ccccc1O.
What is the InChIKey of N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide?
The InChIKey is RPJKFJSQMPEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9(13)12-7-4-8-15-11-6-3-2-5-10(11)14/h2-3,5-6,14H,4,7-8H2,1H3,(H,12,13).
What are the key properties of N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide?
N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide has a molecular weight of 225.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide is sourced from PubChem (CID 71981298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).