2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide

C15H14N6O2S — CID 1253189

IUPAC2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccn1
InChIInChI=1S/C15H14N6O2S/c1-23-12-7-3-2-6-11(12)21-15(18-19-20-21)24-10-14(22)17-13-8-4-5-9-16-13/h2-9H,10H2,1H3,(H,16,17,22)
InChIKeyJVVKNBFOIFPOCJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.80
Rot. Bonds6

About 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 1253189) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide
PubChem CID1253189
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccn1
InChIInChI=1S/C15H14N6O2S/c1-23-12-7-3-2-6-11(12)21-15(18-19-20-21)24-10-14(22)17-13-8-4-5-9-16-13/h2-9H,10H2,1H3,(H,16,17,22)
InChIKeyJVVKNBFOIFPOCJ-UHFFFAOYSA-N
XLogP1.80
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide (CID 1253189) is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide is COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccn1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is JVVKNBFOIFPOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-23-12-7-3-2-6-11(12)21-15(18-19-20-21)24-10-14(22)17-13-8-4-5-9-16-13/h2-9H,10H2,1H3,(H,16,17,22).
What are the key properties of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide?
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 342.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1253189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).