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

C32H26F2N4O6S — CID 86763415

IUPAC2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-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(Cc3ccc(F)cc3)CO4)cc12
InChIInChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
InChIKeyVTLCWLDIFFWTOF-UHFFFAOYSA-N
MW632.65 g/mol
LogP5.19
Rot. Bonds7

About 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-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)methyl]-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 86763415) 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[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)methyl]-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID86763415
Molecular FormulaC32H26F2N4O6S
Molecular Weight632.65 g/mol
Exact Mass632.15
IUPAC Name2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-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(Cc3ccc(F)cc3)CO4)cc12
InChIInChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
InChIKeyVTLCWLDIFFWTOF-UHFFFAOYSA-N
XLogP5.19
TPSA122.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.65
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-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)methyl]-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)methyl]-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 86763415) is 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-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)methyl]-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)methyl]-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(Cc3ccc(F)cc3)CO4)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-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 VTLCWLDIFFWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(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[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)methyl]-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 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[2,3-e][1,3]oxazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 86763415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).