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

C31H24F2N4O6S — CID 87055812

IUPAC2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)C(=O)N(c3ccc(F)cc3)CO4)cc12
InChIInChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-12-13-25-28(35-23)31(39)37(16-42-25)20-10-8-19(33)9-11-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-4-6-18(32)7-5-17/h4-15H,16H2,1-3H3,(H,34,38)
InChIKeyMFARMFXLOUWZSG-UHFFFAOYSA-N
MW618.62 g/mol
LogP5.19
Rot. Bonds6

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

2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 87055812) has the molecular formula C31H24F2N4O6S and a molecular weight of 618.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID87055812
Molecular FormulaC31H24F2N4O6S
Molecular Weight618.62 g/mol
Exact Mass618.14
IUPAC Name2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)C(=O)N(c3ccc(F)cc3)CO4)cc12
InChIInChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-12-13-25-28(35-23)31(39)37(16-42-25)20-10-8-19(33)9-11-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-4-6-18(32)7-5-17/h4-15H,16H2,1-3H3,(H,34,38)
InChIKeyMFARMFXLOUWZSG-UHFFFAOYSA-N
XLogP5.19
TPSA122.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-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)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 87055812) is 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-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)-4-oxo-2H-pyrido[2,3-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)-4-oxo-2H-pyrido[2,3-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(-c3ccc4c(n3)C(=O)N(c3ccc(F)cc3)CO4)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is MFARMFXLOUWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-12-13-25-28(35-23)31(39)37(16-42-25)20-10-8-19(33)9-11-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-4-6-18(32)7-5-17/h4-15H,16H2,1-3H3,(H,34,38).
What are the key properties of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 618.62 g/mol, XLogP of 5.19, 6 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)-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 87055812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).