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

C19H16N2OS — CID 851610

IUPACN-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C19H16N2OS/c22-19(21-17-6-2-1-3-7-17)16-11-9-15(10-12-16)14-23-18-8-4-5-13-20-18/h1-13H,14H2,(H,21,22)
InChIKeyUVWXGWFQCQCRDQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.63
Rot. Bonds5

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

N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 851610) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID851610
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC NameN-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C19H16N2OS/c22-19(21-17-6-2-1-3-7-17)16-11-9-15(10-12-16)14-23-18-8-4-5-13-20-18/h1-13H,14H2,(H,21,22)
InChIKeyUVWXGWFQCQCRDQ-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 851610) is N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide is O=C(Nc1ccccc1)c1ccc(CSc2ccccn2)cc1.
What is the InChIKey of N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is UVWXGWFQCQCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-19(21-17-6-2-1-3-7-17)16-11-9-15(10-12-16)14-23-18-8-4-5-13-20-18/h1-13H,14H2,(H,21,22).
What are the key properties of N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 320.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 851610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).