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

C21H19NO2S — CID 16573615

IUPACN-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H19NO2S/c1-15-12-13-18(19(23)14-15)22-21(24)20(16-8-4-2-5-9-16)25-17-10-6-3-7-11-17/h2-14,20,23H,1H3,(H,22,24)
InChIKeyVDNDRGUHXGCIPJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.17
Rot. Bonds5

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

N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 16573615) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID16573615
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H19NO2S/c1-15-12-13-18(19(23)14-15)22-21(24)20(16-8-4-2-5-9-16)25-17-10-6-3-7-11-17/h2-14,20,23H,1H3,(H,22,24)
InChIKeyVDNDRGUHXGCIPJ-UHFFFAOYSA-N
XLogP5.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.17
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-phenyl-2-phenylsulfanylacetamide
CID 42918814
2-(4-acetamidophenyl)sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 19631343
N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712544
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 7183598
(2R)-N-(2,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-2-phenylacetamide
CID 7402711
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 16573615) is N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide is Cc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is VDNDRGUHXGCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-15-12-13-18(19(23)14-15)22-21(24)20(16-8-4-2-5-9-16)25-17-10-6-3-7-11-17/h2-14,20,23H,1H3,(H,22,24).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 5.17, 5 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-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 16573615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).