2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C21H15F2NO2S — CID 4728274

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H15F2NO2S/c22-21(23)27-16-8-6-15(7-9-16)24-19(25)11-14-12-26-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-10,12,21H,11H2,(H,24,25)
InChIKeyQAYYBQFVHHXGFW-UHFFFAOYSA-N
MW383.42 g/mol
LogP6.08
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 4728274) has the molecular formula C21H15F2NO2S and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID4728274
Molecular FormulaC21H15F2NO2S
Molecular Weight383.42 g/mol
Exact Mass383.08
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H15F2NO2S/c22-21(23)27-16-8-6-15(7-9-16)24-19(25)11-14-12-26-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-10,12,21H,11H2,(H,24,25)
InChIKeyQAYYBQFVHHXGFW-UHFFFAOYSA-N
XLogP6.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
CID 4728261
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7944860
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 4728274) is 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is QAYYBQFVHHXGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO2S/c22-21(23)27-16-8-6-15(7-9-16)24-19(25)11-14-12-26-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-10,12,21H,11H2,(H,24,25).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 383.42 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 4728274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).