N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide

C10H13NO2S — CID 62000119

IUPACN-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1ccccc1O
InChIInChI=1S/C10H13NO2S/c1-8(12)11-6-7-14-10-5-3-2-4-9(10)13/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKeyQQDIZACJDDCRKQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide

N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide (PubChem CID 62000119) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
PubChem CID62000119
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1ccccc1O
InChIInChI=1S/C10H13NO2S/c1-8(12)11-6-7-14-10-5-3-2-4-9(10)13/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKeyQQDIZACJDDCRKQ-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.62
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-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
CID 71981298
2-(2-acetamidoethylsulfanyl)benzoic acid
CID 43241365
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide
CID 43303052
N-[2-(2-amino-5-methylphenyl)sulfanylethyl]acetamide
CID 79142236
N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide
CID 43251149
S-(2-acetamidoethyl) (3S)-3-hydroxy-3-phenylpropanethioate
CID 10967487
N-[2-[4-hydroxy-2-[(E)-2-(125I)iodoethenyl]phenyl]sulfanylethyl]acetamide
CID 10498786
4-(2-acetamidoethylsulfanyl)benzoic acid
CID 43352424
N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide
CID 107529067
2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium
CID 123192052
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide (CID 62000119) is N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide is CC(=O)NCCSc1ccccc1O.
What is the InChIKey of N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide?
The InChIKey is QQDIZACJDDCRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8(12)11-6-7-14-10-5-3-2-4-9(10)13/h2-5,13H,6-7H2,1H3,(H,11,12).
What are the key properties of N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide?
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide has a molecular weight of 211.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 62000119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).