N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide

C20H18N2O2S — CID 2797964

IUPACN-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(O)c1
InChIInChI=1S/C20H18N2O2S/c1-14-5-10-17(18(23)12-14)22-20(24)16-8-6-15(7-9-16)13-25-19-4-2-3-11-21-19/h2-12,23H,13H2,1H3,(H,22,24)
InChIKeyJRYTWUAJLRWIPV-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.64
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide

N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 2797964) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID2797964
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(O)c1
InChIInChI=1S/C20H18N2O2S/c1-14-5-10-17(18(23)12-14)22-20(24)16-8-6-15(7-9-16)13-25-19-4-2-3-11-21-19/h2-12,23H,13H2,1H3,(H,22,24)
InChIKeyJRYTWUAJLRWIPV-UHFFFAOYSA-N
XLogP4.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 2797964) is N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is JRYTWUAJLRWIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-5-10-17(18(23)12-14)22-20(24)16-8-6-15(7-9-16)13-25-19-4-2-3-11-21-19/h2-12,23H,13H2,1H3,(H,22,24).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 350.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 2797964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).