2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide

C23H26F2N2O5S — CID 123868765

About 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide

2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide (PubChem CID 123868765) has the molecular formula C23H26F2N2O5S and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide.

Molecular Properties

• Compound Name: 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide
• PubChem CID: 123868765
• Molecular Formula: C23H26F2N2O5S
• Molecular Weight: 480.53 g/mol
• Exact Mass: 480.15
• IUPAC Name: 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide
• SMILES: CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C2(OCC(N)=O)COC2)cc1F
• InChI: InChI=1S/C23H26F2N2O5S/c1-15-7-8-21(16-5-3-2-4-6-16)33(29,30)27(15)11-17-9-20(25)18(10-19(17)24)23(13-31-14-23)32-12-22(26)28/h2-6,9-10,15,21H,7-8,11-14H2,1H3,(H2,26,28)
• InChIKey: KVUJZPUVQDZKOG-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 98.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.53
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide?

The IUPAC name of 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide (CID 123868765) is 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide.

What is the SMILES notation for 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide?

The canonical SMILES for 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide is CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C2(OCC(N)=O)COC2)cc1F.

What is the InChIKey of 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide?

The InChIKey is KVUJZPUVQDZKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O5S/c1-15-7-8-21(16-5-3-2-4-6-16)33(29,30)27(15)11-17-9-20(25)18(10-19(17)24)23(13-31-14-23)32-12-22(26)28/h2-6,9-10,15,21H,7-8,11-14H2,1H3,(H2,26,28).

What are the key properties of 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide?

2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide has a molecular weight of 480.53 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2,5-difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxetan-3-yl]oxyacetamide is sourced from PubChem (CID 123868765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).