2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide

C15H14N2O3S — CID 2521525

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1cccnc1
InChIInChI=1S/C15H14N2O3S/c18-15(17-11-2-1-5-16-9-11)10-21-12-3-4-13-14(8-12)20-7-6-19-13/h1-5,8-9H,6-7,10H2,(H,17,18)
InChIKeySPUNPKXKJWJFEU-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.58
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide (PubChem CID 2521525) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide
PubChem CID2521525
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1cccnc1
InChIInChI=1S/C15H14N2O3S/c18-15(17-11-2-1-5-16-9-11)10-21-12-3-4-13-14(8-12)20-7-6-19-13/h1-5,8-9H,6-7,10H2,(H,17,18)
InChIKeySPUNPKXKJWJFEU-UHFFFAOYSA-N
XLogP2.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide (CID 2521525) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide is O=C(CSc1ccc2c(c1)OCCO2)Nc1cccnc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide?
The InChIKey is SPUNPKXKJWJFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-15(17-11-2-1-5-16-9-11)10-21-12-3-4-13-14(8-12)20-7-6-19-13/h1-5,8-9H,6-7,10H2,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide has a molecular weight of 302.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2521525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).