2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide

C17H19NO2S — CID 122149946

IUPAC2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-21-16-7-5-13(6-8-16)9-10-18-17(20)12-14-3-2-4-15(19)11-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyVGJRBDAYERFSGC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.02
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide

2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 122149946) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID122149946
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-21-16-7-5-13(6-8-16)9-10-18-17(20)12-14-3-2-4-15(19)11-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyVGJRBDAYERFSGC-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide
CID 10389135
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 134800698
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
CID 115760554

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 122149946) is 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(CCNC(=O)Cc2cccc(O)c2)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is VGJRBDAYERFSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-21-16-7-5-13(6-8-16)9-10-18-17(20)12-14-3-2-4-15(19)11-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20).
What are the key properties of 2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.02, 6 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-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 122149946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).