2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide

C24H19N3O2S — CID 86906340

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1coc2ccc3ccccc3c12)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C24H19N3O2S/c1-15(24-27-20(14-30-24)17-6-4-10-25-12-17)26-22(28)11-18-13-29-21-9-8-16-5-2-3-7-19(16)23(18)21/h2-10,12-15H,11H2,1H3,(H,26,28)
InChIKeyLQOVBTPHXPJASD-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.52
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 86906340) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID86906340
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1coc2ccc3ccccc3c12)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C24H19N3O2S/c1-15(24-27-20(14-30-24)17-6-4-10-25-12-17)26-22(28)11-18-13-29-21-9-8-16-5-2-3-7-19(16)23(18)21/h2-10,12-15H,11H2,1H3,(H,26,28)
InChIKeyLQOVBTPHXPJASD-UHFFFAOYSA-N
XLogP5.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
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2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
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methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
2-benzo[e][1]benzofuran-1-yl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
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[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
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CID 8928316
1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159
1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
CID 166293905
(E)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 95312252
2,6-difluoro-N-[3-methyl-1-oxo-1-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 86906340) is 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide is CC(NC(=O)Cc1coc2ccc3ccccc3c12)c1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is LQOVBTPHXPJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-15(24-27-20(14-30-24)17-6-4-10-25-12-17)26-22(28)11-18-13-29-21-9-8-16-5-2-3-7-19(16)23(18)21/h2-10,12-15H,11H2,1H3,(H,26,28).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 86906340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).