N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide

C15H15NO2S — CID 6460145

IUPACN-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2)c(O)c1
InChIInChI=1S/C15H15NO2S/c1-11-7-8-13(14(17)9-11)16-15(18)10-19-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyQBIZEGJFZSORDU-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.43
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide

N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide (PubChem CID 6460145) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
PubChem CID6460145
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2)c(O)c1
InChIInChI=1S/C15H15NO2S/c1-11-7-8-13(14(17)9-11)16-15(18)10-19-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyQBIZEGJFZSORDU-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9428221
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methylbenzoic acid
CID 4188338
N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8700658

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide (CID 6460145) is N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide is Cc1ccc(NC(=O)CSc2ccccc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is QBIZEGJFZSORDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-7-8-13(14(17)9-11)16-15(18)10-19-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide?
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 273.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 6460145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).