2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide

C16H17NO2S2 — CID 62000718

IUPAC2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSc1ccccc1O)NCCSc1ccccc1
InChIInChI=1S/C16H17NO2S2/c18-14-8-4-5-9-15(14)21-12-16(19)17-10-11-20-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,17,19)
InChIKeyCQKLVZLBPPIFML-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.39
Rot. Bonds7

About 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide

2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 62000718) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
PubChem CID62000718
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSc1ccccc1O)NCCSc1ccccc1
InChIInChI=1S/C16H17NO2S2/c18-14-8-4-5-9-15(14)21-12-16(19)17-10-11-20-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,17,19)
InChIKeyCQKLVZLBPPIFML-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66126582
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66217319
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 7627027
N-(2-phenylsulfanylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7628096
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide (CID 62000718) is 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide is O=C(CSc1ccccc1O)NCCSc1ccccc1.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is CQKLVZLBPPIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c18-14-8-4-5-9-15(14)21-12-16(19)17-10-11-20-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,17,19).
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 319.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 62000718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).