N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide

C25H24F2N2O4S — CID 68723999

IUPACN-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2F)C(=O)O1
InChIInChI=1S/C25H24F2N2O4S/c1-34(31,32)28-16-14-25(19-6-3-2-4-7-19)15-17-29(24(30)33-25)22-9-5-8-21(23(22)27)18-10-12-20(26)13-11-18/h2-13,28H,14-17H2,1H3/t25-/m1/s1
InChIKeyYHIKUBNDMJVWEU-RUZDIDTESA-N
MW486.54 g/mol
LogP4.81
Rot. Bonds7

About N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide

N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide (PubChem CID 68723999) has the molecular formula C25H24F2N2O4S and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide
PubChem CID68723999
Molecular FormulaC25H24F2N2O4S
Molecular Weight486.54 g/mol
Exact Mass486.14
IUPAC NameN-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2F)C(=O)O1
InChIInChI=1S/C25H24F2N2O4S/c1-34(31,32)28-16-14-25(19-6-3-2-4-7-19)15-17-29(24(30)33-25)22-9-5-8-21(23(22)27)18-10-12-20(26)13-11-18/h2-13,28H,14-17H2,1H3/t25-/m1/s1
InChIKeyYHIKUBNDMJVWEU-RUZDIDTESA-N
XLogP4.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide (CID 68723999) is N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC[C@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2F)C(=O)O1.
What is the InChIKey of N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
The InChIKey is YHIKUBNDMJVWEU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24F2N2O4S/c1-34(31,32)28-16-14-25(19-6-3-2-4-7-19)15-17-29(24(30)33-25)22-9-5-8-21(23(22)27)18-10-12-20(26)13-11-18/h2-13,28H,14-17H2,1H3/t25-/m1/s1.
What are the key properties of N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide has a molecular weight of 486.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6S)-3-[2-fluoro-3-(4-fluorophenyl)phenyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 68723999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).