N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

C25H22N2O5 — CID 16814466

IUPACN-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O5/c1-16-7-11-19(12-8-16)31-15-22(28)27-23-20-5-3-4-6-21(20)32-24(23)25(29)26-17-9-13-18(30-2)14-10-17/h3-14H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZRPRTFCKYLFDTG-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.02
Rot. Bonds7

About N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16814466) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID16814466
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC NameN-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O5/c1-16-7-11-19(12-8-16)31-15-22(28)27-23-20-5-3-4-6-21(20)32-24(23)25(29)26-17-9-13-18(30-2)14-10-17/h3-14H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZRPRTFCKYLFDTG-UHFFFAOYSA-N
XLogP5.02
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-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

N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (CID 16814466) is N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is ZRPRTFCKYLFDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-16-7-11-19(12-8-16)31-15-22(28)27-23-20-5-3-4-6-21(20)32-24(23)25(29)26-17-9-13-18(30-2)14-10-17/h3-14H,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).