2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide

C26H19NO2S — CID 4728261

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C26H19NO2S/c28-25(27-22-12-6-7-13-24(22)30-20-9-2-1-3-10-20)16-19-17-29-23-15-14-18-8-4-5-11-21(18)26(19)23/h1-15,17H,16H2,(H,27,28)
InChIKeyISFUBLXOOWZRDW-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.92
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 4728261) has the molecular formula C26H19NO2S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID4728261
Molecular FormulaC26H19NO2S
Molecular Weight409.51 g/mol
Exact Mass409.11
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C26H19NO2S/c28-25(27-22-12-6-7-13-24(22)30-20-9-2-1-3-10-20)16-19-17-29-23-15-14-18-8-4-5-11-21(18)26(19)23/h1-15,17H,16H2,(H,27,28)
InChIKeyISFUBLXOOWZRDW-UHFFFAOYSA-N
XLogP6.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2-benzo[e][1]benzofuran-1-yl-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928316
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700530
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 29219272

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide (CID 4728261) is 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is ISFUBLXOOWZRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2S/c28-25(27-22-12-6-7-13-24(22)30-20-9-2-1-3-10-20)16-19-17-29-23-15-14-18-8-4-5-11-21(18)26(19)23/h1-15,17H,16H2,(H,27,28).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 6.92, 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-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 4728261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).