1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone

C15H13NO2S — CID 71898130

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H13NO2S/c17-13(10-19-15-3-1-2-7-16-15)11-4-5-14-12(9-11)6-8-18-14/h1-5,7,9H,6,8,10H2
InChIKeyBTRSLPUCXZVTOF-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 71898130) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID71898130
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H13NO2S/c17-13(10-19-15-3-1-2-7-16-15)11-4-5-14-12(9-11)6-8-18-14/h1-5,7,9H,6,8,10H2
InChIKeyBTRSLPUCXZVTOF-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 60863461
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 33497453
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 30835308
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
1-(1-methylpyrrol-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 43218718
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981503
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
2,3-dihydro-1-benzofuran-5-yl(isoquinolin-1-yl)methanone
CID 104542286
2,3-dihydro-1-benzofuran-5-yl-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618855

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone (CID 71898130) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is BTRSLPUCXZVTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-13(10-19-15-3-1-2-7-16-15)11-4-5-14-12(9-11)6-8-18-14/h1-5,7,9H,6,8,10H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 271.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 71898130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).