3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

C24H20N2O5 — CID 50846758

About 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 50846758) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
• PubChem CID: 50846758
• Molecular Formula: C24H20N2O5
• Molecular Weight: 416.43 g/mol
• Exact Mass: 416.14
• IUPAC Name: 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
• SMILES: COc1c(C(=O)Nc2ccccc2)oc2ccc(NC(=O)/C=C/c3ccc(C)o3)cc12
• InChI: InChI=1S/C24H20N2O5/c1-15-8-10-18(30-15)11-13-21(27)25-17-9-12-20-19(14-17)22(29-2)23(31-20)24(28)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,25,27)(H,26,28)/b13-11+
• InChIKey: ICLSMCGEXXZFRS-ACCUITESSA-N
• XLogP: 5.25
• TPSA: 93.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?

The IUPAC name of 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (CID 50846758) is 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is COc1c(C(=O)Nc2ccccc2)oc2ccc(NC(=O)/C=C/c3ccc(C)o3)cc12.

What is the InChIKey of 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?

The InChIKey is ICLSMCGEXXZFRS-ACCUITESSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-15-8-10-18(30-15)11-13-21(27)25-17-9-12-20-19(14-17)22(29-2)23(31-20)24(28)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,25,27)(H,26,28)/b13-11+.

What are the key properties of 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?

3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50846758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).