2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide

C15H15NO2S — CID 104590375

IUPAC2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-16(12-6-3-2-4-7-12)15(18)11-19-14-9-5-8-13(17)10-14/h2-10,17H,11H2,1H3
InChIKeyGKQGESDHMVQTMX-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.15
Rot. Bonds4

About 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide

2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide (PubChem CID 104590375) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
PubChem CID104590375
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-16(12-6-3-2-4-7-12)15(18)11-19-14-9-5-8-13(17)10-14/h2-10,17H,11H2,1H3
InChIKeyGKQGESDHMVQTMX-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-phenylsulfanylacetyl)amino]benzoic acid
CID 104698113
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 41161935
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 104590665
2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
CID 18894747
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
CID 23518875
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 95899111
2-(3-hydroxyphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 104590537
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
CID 162689286
2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 79128558

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide (CID 104590375) is 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide is CN(C(=O)CSc1cccc(O)c1)c1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide?
The InChIKey is GKQGESDHMVQTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-16(12-6-3-2-4-7-12)15(18)11-19-14-9-5-8-13(17)10-14/h2-10,17H,11H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide?
2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide has a molecular weight of 273.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide is sourced from PubChem (CID 104590375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).