2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide

C20H15N3OS — CID 31807328

IUPAC2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C20H15N3OS/c21-12-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)20(24)23-14-15-6-5-11-22-13-15/h1-11,13H,14H2,(H,23,24)
InChIKeyPJTOZGSGDMHZEO-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.03
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide

2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 31807328) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID31807328
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C20H15N3OS/c21-12-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)20(24)23-14-15-6-5-11-22-13-15/h1-11,13H,14H2,(H,23,24)
InChIKeyPJTOZGSGDMHZEO-UHFFFAOYSA-N
XLogP4.03
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-(2-cyanophenyl)sulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 39474944
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 60557155
2-isocyanato-N-(pyridin-3-ylmethyl)benzamide
CID 169352552
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 37171992
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide (CID 31807328) is 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide is N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PJTOZGSGDMHZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c21-12-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)20(24)23-14-15-6-5-11-22-13-15/h1-11,13H,14H2,(H,23,24).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide?
2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 345.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 31807328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).