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

C19H17N3OS — CID 20786052

IUPACN-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C19H17N3OS/c20-16-5-1-2-6-17(16)22-19(23)15-10-8-14(9-11-15)13-24-18-7-3-4-12-21-18/h1-12H,13,20H2,(H,22,23)
InChIKeyXWGFYVXXAQCIQE-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.21
Rot. Bonds5

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

N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 20786052) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID20786052
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C19H17N3OS/c20-16-5-1-2-6-17(16)22-19(23)15-10-8-14(9-11-15)13-24-18-7-3-4-12-21-18/h1-12H,13,20H2,(H,22,23)
InChIKeyXWGFYVXXAQCIQE-UHFFFAOYSA-N
XLogP4.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 20786052) is N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is Nc1ccccc1NC(=O)c1ccc(CSc2ccccn2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is XWGFYVXXAQCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c20-16-5-1-2-6-17(16)22-19(23)15-10-8-14(9-11-15)13-24-18-7-3-4-12-21-18/h1-12H,13,20H2,(H,22,23).
What are the key properties of N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20786052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).