2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

C15H16N2OS — CID 970318

IUPAC2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C15H16N2OS/c1-2-19-14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-10-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyQAXDERXHTSRSPF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.12
Rot. Bonds5

About 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 970318) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID970318
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCSc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C15H16N2OS/c1-2-19-14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-10-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyQAXDERXHTSRSPF-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
Nicotinic acid benzylamide
CID 98499
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
Dibenzothiazepine, 12k
CID 42617997
4-tert-butyl-N-(pyridin-3-ylmethyl)benzamide
CID 669507
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
N-((4-Methyl-3-pyridyl)methyl)-benzamide
CID 52096
N-(4-Pyridinylmethyl)benzamide
CID 321326
2-(methylthio)-N-(3-pyridinylmethyl)benzamide
CID 1243089
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (CID 970318) is 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is CCSc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QAXDERXHTSRSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-19-14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-10-12/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 272.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 970318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).