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

C32H26F2N4O6S — CID 121332865

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

6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 121332865) has the molecular formula C32H26F2N4O6S and a molecular weight of 632.65 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 121332865
• Molecular Formula: C32H26F2N4O6S
• Molecular Weight: 632.65 g/mol
• Exact Mass: 632.15
• IUPAC Name: 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cnc2c(c1)C(=O)N(Cc1ccc(F)cc1)CO2
• InChI: InChI=1S/C32H26F2N4O6S/c1-3-45(41,42)37-26-14-27-24(28(30(39)35-2)29(44-27)19-6-10-22(34)11-7-19)13-23(26)20-12-25-31(36-15-20)43-17-38(32(25)40)16-18-4-8-21(33)9-5-18/h4-15,37H,3,16-17H2,1-2H3,(H,35,39)
• InChIKey: BSLSYJJFEIUJDP-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 130.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.65
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide (CID 121332865) is 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide is CCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cnc2c(c1)C(=O)N(Cc1ccc(F)cc1)CO2.

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

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

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

6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 632.65 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 121332865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).