2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide

C35H32FN5O6S — CID 67418265

About 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 67418265) has the molecular formula C35H32FN5O6S and a molecular weight of 669.74 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
• PubChem CID: 67418265
• Molecular Formula: C35H32FN5O6S
• Molecular Weight: 669.74 g/mol
• Exact Mass: 669.21
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(=O)(=O)CCCN3CCOCC3)c(-c3cccc(-c4nc5ncccc5o4)c3)cc12
• InChI: InChI=1S/C35H32FN5O6S/c1-37-34(42)31-27-20-26(23-5-2-6-24(19-23)35-39-33-29(47-35)7-3-12-38-33)28(21-30(27)46-32(31)22-8-10-25(36)11-9-22)40-48(43,44)18-4-13-41-14-16-45-17-15-41/h2-3,5-12,19-21,40H,4,13-18H2,1H3,(H,37,42)
• InChIKey: ZQPYLEHHAZAXGG-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 139.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.74
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide (CID 67418265) is 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(=O)(=O)CCCN3CCOCC3)c(-c3cccc(-c4nc5ncccc5o4)c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?

The InChIKey is ZQPYLEHHAZAXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN5O6S/c1-37-34(42)31-27-20-26(23-5-2-6-24(19-23)35-39-33-29(47-35)7-3-12-38-33)28(21-30(27)46-32(31)22-8-10-25(36)11-9-22)40-48(43,44)18-4-13-41-14-16-45-17-15-41/h2-3,5-12,19-21,40H,4,13-18H2,1H3,(H,37,42).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 669.74 g/mol, XLogP of 5.93, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67418265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).