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

C20H18N2OS — CID 851611

IUPACN-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1
InChIInChI=1S/C20H18N2OS/c1-15-5-11-18(12-6-15)22-20(23)17-9-7-16(8-10-17)14-24-19-4-2-3-13-21-19/h2-13H,14H2,1H3,(H,22,23)
InChIKeyAFRWEHUTHUXESS-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.93
Rot. Bonds5

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

N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 851611) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID851611
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1
InChIInChI=1S/C20H18N2OS/c1-15-5-11-18(12-6-15)22-20(23)17-9-7-16(8-10-17)14-24-19-4-2-3-13-21-19/h2-13H,14H2,1H3,(H,22,23)
InChIKeyAFRWEHUTHUXESS-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 851611) is N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is AFRWEHUTHUXESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-15-5-11-18(12-6-15)22-20(23)17-9-7-16(8-10-17)14-24-19-4-2-3-13-21-19/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 334.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 851611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).