2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide

C16H14N4O3S — CID 2099960

IUPAC2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C16H14N4O3S/c1-23-12-7-3-2-6-11(12)15(22)17-14(21)10-24-16-19-18-13-8-4-5-9-20(13)16/h2-9H,10H2,1H3,(H,17,21,22)
InChIKeyIHEFCXLOZUXHQN-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.79
Rot. Bonds5

About 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide

2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide (PubChem CID 2099960) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
PubChem CID2099960
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C16H14N4O3S/c1-23-12-7-3-2-6-11(12)15(22)17-14(21)10-24-16-19-18-13-8-4-5-9-20(13)16/h2-9H,10H2,1H3,(H,17,21,22)
InChIKeyIHEFCXLOZUXHQN-UHFFFAOYSA-N
XLogP1.79
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668
Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
CID 1151711
US9687479, 14 3-(5-[(4-fluorophenyl)methyl]sulfanyl-1-[(2-methoxyphenyl)carbonyl]-1H-1,2,4-triazol-3-yl)pyridine
CID 53492677
1-(4-Ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2084536
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2404025
1-[2,4-Bis(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2998469
N-[2-(4-methoxyphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 3669186
N-(2-ethoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 3886974
N-[2-[6-[(2-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 7207659
N-[(2-methoxyphenyl)methyl]-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7532071
N-(3-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 15945250
N-(2-methoxyphenethyl)-2-((6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
CID 16194855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide (CID 2099960) is 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide is COc1ccccc1C(=O)NC(=O)CSc1nnc2ccccn12.
What is the InChIKey of 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
The InChIKey is IHEFCXLOZUXHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-23-12-7-3-2-6-11(12)15(22)17-14(21)10-24-16-19-18-13-8-4-5-9-20(13)16/h2-9H,10H2,1H3,(H,17,21,22).
What are the key properties of 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide has a molecular weight of 342.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide is sourced from PubChem (CID 2099960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).