2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C22H16N2O2S — CID 7915193

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2s1
InChIInChI=1S/C22H16N2O2S/c1-13-23-18-8-7-16(11-20(18)27-13)24-21(25)10-15-12-26-19-9-6-14-4-2-3-5-17(14)22(15)19/h2-9,11-12H,10H2,1H3,(H,24,25)
InChIKeyNERXFBULHWXYLG-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.69
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 7915193) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID7915193
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2s1
InChIInChI=1S/C22H16N2O2S/c1-13-23-18-8-7-16(11-20(18)27-13)24-21(25)10-15-12-26-19-9-6-14-4-2-3-5-17(14)22(15)19/h2-9,11-12H,10H2,1H3,(H,24,25)
InChIKeyNERXFBULHWXYLG-UHFFFAOYSA-N
XLogP5.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)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

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1242890
2,3-dimethyl-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxybenzamide
CID 141483857
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 2308007
N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-butoxybenzamide
CID 3619040
5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 9085542
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 16015992
3-methyl-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-[(2R)-pentan-2-yl]oxybenzamide
CID 164625213
3-methyl-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxybenzamide
CID 164628392
N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 4965269
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 1793508
2-methyl-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxybenzamide
CID 164619306
3-methyl-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-[(2S)-pentan-2-yl]oxybenzamide
CID 164629215

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 7915193) is 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2s1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is NERXFBULHWXYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c1-13-23-18-8-7-16(11-20(18)27-13)24-21(25)10-15-12-26-19-9-6-14-4-2-3-5-17(14)22(15)19/h2-9,11-12H,10H2,1H3,(H,24,25).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 7915193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).