2-hydroxy-N-(2-phenylsulfanylethyl)benzamide

C15H15NO2S — CID 27887658

IUPAC2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H15NO2S/c17-14-9-5-4-8-13(14)15(18)16-10-11-19-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,16,18)
InChIKeyJCIWSWBEPVHGQI-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.91
Rot. Bonds5

About 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide

2-hydroxy-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 27887658) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
PubChem CID27887658
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H15NO2S/c17-14-9-5-4-8-13(14)15(18)16-10-11-19-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,16,18)
InChIKeyJCIWSWBEPVHGQI-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.91
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

2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
CID 78810821
2-[(2-hydroxybenzoyl)amino]ethyl nitrate
CID 23176246
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
1,3-bis(2-phenylsulfanylethyl)thiourea
CID 9284073

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide (CID 27887658) is 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is JCIWSWBEPVHGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-14-9-5-4-8-13(14)15(18)16-10-11-19-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,16,18).
What are the key properties of 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide?
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 273.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 27887658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).