ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate

C26H24N2O6S — CID 4856228

About ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate

ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate (PubChem CID 4856228) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate
• PubChem CID: 4856228
• Molecular Formula: C26H24N2O6S
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.14
• IUPAC Name: ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate
• SMILES: CCCc1oc2cc(C)c(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc2c1C(=O)OCC
• InChI: InChI=1S/C26H24N2O6S/c1-4-7-20-24(26(30)33-5-2)17-13-19(14(3)12-21(17)34-20)28-35(31,32)22-11-10-18-23-15(22)8-6-9-16(23)25(29)27-18/h6,8-13,28H,4-5,7H2,1-3H3,(H,27,29)
• InChIKey: GHURGBUFBQAHNF-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 114.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?

The IUPAC name of ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate (CID 4856228) is ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate.

What is the SMILES notation for ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?

The canonical SMILES for ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate is CCCc1oc2cc(C)c(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc2c1C(=O)OCC.

What is the InChIKey of ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?

The InChIKey is GHURGBUFBQAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-4-7-20-24(26(30)33-5-2)17-13-19(14(3)12-21(17)34-20)28-35(31,32)22-11-10-18-23-15(22)8-6-9-16(23)25(29)27-18/h6,8-13,28H,4-5,7H2,1-3H3,(H,27,29).

What are the key properties of ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?

ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate has a molecular weight of 492.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 4856228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).