2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide

C16H17NO2S — CID 104590197

IUPAC2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1cccc(O)c1)NCCc1ccccc1
InChIInChI=1S/C16H17NO2S/c18-14-7-4-8-15(11-14)20-12-16(19)17-10-9-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12H2,(H,17,19)
InChIKeyBSKPWIVLXUVRKY-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.84
Rot. Bonds6

About 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide

2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 104590197) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID104590197
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1cccc(O)c1)NCCc1ccccc1
InChIInChI=1S/C16H17NO2S/c18-14-7-4-8-15(11-14)20-12-16(19)17-10-9-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12H2,(H,17,19)
InChIKeyBSKPWIVLXUVRKY-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
N-[2-[4-[amino(hydroxy)methyl]phenyl]ethyl]-2-phenylsulfanylacetamide
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2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
CID 104590202
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 92513723
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590290
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide (CID 104590197) is 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1cccc(O)c1)NCCc1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is BSKPWIVLXUVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-14-7-4-8-15(11-14)20-12-16(19)17-10-9-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12H2,(H,17,19).
What are the key properties of 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 104590197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).