2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C32H26F2N4O6S — CID 87055892

About 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 87055892) has the molecular formula C32H26F2N4O6S and a molecular weight of 632.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 87055892
• Molecular Formula: C32H26F2N4O6S
• Molecular Weight: 632.65 g/mol
• Exact Mass: 632.15
• IUPAC Name: 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4c(c3)C(=O)N(Cc3ccc(F)cc3)CO4)cc12
• InChI: InChI=1S/C32H26F2N4O6S/c1-35-30(39)28-24-13-23(26(37(2)45(3,41)42)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-31(36-15-20)43-17-38(32(25)40)16-18-4-8-21(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
• InChIKey: XLKNMMCECCXSPF-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 122.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.65
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 87055892) is 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4c(c3)C(=O)N(Cc3ccc(F)cc3)CO4)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The InChIKey is XLKNMMCECCXSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O6S/c1-35-30(39)28-24-13-23(26(37(2)45(3,41)42)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-31(36-15-20)43-17-38(32(25)40)16-18-4-8-21(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39).

What are the key properties of 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 632.65 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 87055892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).