2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide

C23H28F2N2O4S — CID 118222924

IUPAC2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide
SMILESC[C@@H]1NC[C@@H](c2ccccc2)S(=O)(=O)C1Cc1cc(F)c(C(C)(C)OCC(N)=O)cc1F
InChIInChI=1S/C23H28F2N2O4S/c1-14-20(32(29,30)21(12-27-14)15-7-5-4-6-8-15)10-16-9-19(25)17(11-18(16)24)23(2,3)31-13-22(26)28/h4-9,11,14,20-21,27H,10,12-13H2,1-3H3,(H2,26,28)/t14-,20?,21-/m0/s1
InChIKeyJFDXCOJPAKKQLZ-YZIZEKMBSA-N
MW466.55 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide

2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide (PubChem CID 118222924) has the molecular formula C23H28F2N2O4S and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide.

Molecular Properties

Compound Name2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide
PubChem CID118222924
Molecular FormulaC23H28F2N2O4S
Molecular Weight466.55 g/mol
Exact Mass466.17
IUPAC Name2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide
SMILESC[C@@H]1NC[C@@H](c2ccccc2)S(=O)(=O)C1Cc1cc(F)c(C(C)(C)OCC(N)=O)cc1F
InChIInChI=1S/C23H28F2N2O4S/c1-14-20(32(29,30)21(12-27-14)15-7-5-4-6-8-15)10-16-9-19(25)17(11-18(16)24)23(2,3)31-13-22(26)28/h4-9,11,14,20-21,27H,10,12-13H2,1-3H3,(H2,26,28)/t14-,20?,21-/m0/s1
InChIKeyJFDXCOJPAKKQLZ-YZIZEKMBSA-N
XLogP2.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
The IUPAC name of 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide (CID 118222924) is 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide.
What is the SMILES notation for 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
The canonical SMILES for 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide is C[C@@H]1NC[C@@H](c2ccccc2)S(=O)(=O)C1Cc1cc(F)c(C(C)(C)OCC(N)=O)cc1F.
What is the InChIKey of 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
The InChIKey is JFDXCOJPAKKQLZ-YZIZEKMBSA-N. The full InChI is InChI=1S/C23H28F2N2O4S/c1-14-20(32(29,30)21(12-27-14)15-7-5-4-6-8-15)10-16-9-19(25)17(11-18(16)24)23(2,3)31-13-22(26)28/h4-9,11,14,20-21,27H,10,12-13H2,1-3H3,(H2,26,28)/t14-,20?,21-/m0/s1.
What are the key properties of 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide has a molecular weight of 466.55 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenyl-1,4-thiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide is sourced from PubChem (CID 118222924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).