N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

C18H15F2NO2S — CID 7944860

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(SC(F)F)cc3)coc2c1
InChIInChI=1S/C18H15F2NO2S/c1-11-2-7-15-12(10-23-16(15)8-11)9-17(22)21-13-3-5-14(6-4-13)24-18(19)20/h2-8,10,18H,9H2,1H3,(H,21,22)
InChIKeySWICVZKEWSKZFP-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.24
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 7944860) has the molecular formula C18H15F2NO2S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID7944860
Molecular FormulaC18H15F2NO2S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(SC(F)F)cc3)coc2c1
InChIInChI=1S/C18H15F2NO2S/c1-11-2-7-15-12(10-23-16(15)8-11)9-17(22)21-13-3-5-14(6-4-13)24-18(19)20/h2-8,10,18H,9H2,1H3,(H,21,22)
InChIKeySWICVZKEWSKZFP-UHFFFAOYSA-N
XLogP5.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010405
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 7944860) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3ccc(SC(F)F)cc3)coc2c1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is SWICVZKEWSKZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2S/c1-11-2-7-15-12(10-23-16(15)8-11)9-17(22)21-13-3-5-14(6-4-13)24-18(19)20/h2-8,10,18H,9H2,1H3,(H,21,22).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 347.39 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7944860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).