2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide

C15H16N2O2S — CID 2218460

IUPAC2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide
SMILESCOCCSc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H16N2O2S/c1-19-9-10-20-14-7-3-2-6-13(14)15(18)17-12-5-4-8-16-11-12/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyXCBDSQKBFIOLEB-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.07
Rot. Bonds6

About 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide

2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide (PubChem CID 2218460) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide
PubChem CID2218460
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide
SMILESCOCCSc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H16N2O2S/c1-19-9-10-20-14-7-3-2-6-13(14)15(18)17-12-5-4-8-16-11-12/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyXCBDSQKBFIOLEB-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
4-fluoro-N-(3-pyridinyl)benzamide
CID 1118253
2-(methylthio)-N-(3-pyridinylmethyl)benzamide
CID 1243089
5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamide
CID 2807262
ethyl (6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetate
CID 16011601
S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-(2-pyridin-1-ium-1-ylethyl)carbamothioate bromide
CID 403327
4-acetamido-N-pyridin-3-ylbenzamide
CID 654326
4-propyl-N-(pyridin-3-yl)benzamide
CID 3312764
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827
N-(3,5-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10472953

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide (CID 2218460) is 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide is COCCSc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide?
The InChIKey is XCBDSQKBFIOLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-9-10-20-14-7-3-2-6-13(14)15(18)17-12-5-4-8-16-11-12/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide?
2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide has a molecular weight of 288.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2218460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).