3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

C26H20N2O4 — CID 18861171

IUPAC3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2occ(CC(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)c2c1
InChIInChI=1S/C26H20N2O4/c1-16-11-12-21-20(13-16)17(15-31-21)14-23(29)28-24-19-9-5-6-10-22(19)32-25(24)26(30)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyQUTYHUBPOHXZIF-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.92
Rot. Bonds5

About 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 18861171) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID18861171
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2occ(CC(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)c2c1
InChIInChI=1S/C26H20N2O4/c1-16-11-12-21-20(13-16)17(15-31-21)14-23(29)28-24-19-9-5-6-10-22(19)32-25(24)26(30)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyQUTYHUBPOHXZIF-UHFFFAOYSA-N
XLogP5.92
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide 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

3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
3-[[2-(5-tert-butyl-1-benzofuran-3-yl)acetyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 18861335
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861282
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (CID 18861171) is 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is Cc1ccc2occ(CC(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)c2c1.
What is the InChIKey of 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is QUTYHUBPOHXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-16-11-12-21-20(13-16)17(15-31-21)14-23(29)28-24-19-9-5-6-10-22(19)32-25(24)26(30)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18861171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).