2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide

C17H24F2N2O4S — CID 118232786

IUPAC2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide
SMILESC[C@H]1CCCS(=O)(=O)N1Cc1cc(F)c(C(C)(C)OCC(N)=O)cc1F
InChIInChI=1S/C17H24F2N2O4S/c1-11-5-4-6-26(23,24)21(11)9-12-7-15(19)13(8-14(12)18)17(2,3)25-10-16(20)22/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,22)/t11-/m0/s1
InChIKeyITEREYWNCZFNDI-NSHDSACASA-N
MW390.45 g/mol
LogP2.02
Rot. Bonds6

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

2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide (PubChem CID 118232786) has the molecular formula C17H24F2N2O4S and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide.

Molecular Properties

Compound Name2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide
PubChem CID118232786
Molecular FormulaC17H24F2N2O4S
Molecular Weight390.45 g/mol
Exact Mass390.14
IUPAC Name2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide
SMILESC[C@H]1CCCS(=O)(=O)N1Cc1cc(F)c(C(C)(C)OCC(N)=O)cc1F
InChIInChI=1S/C17H24F2N2O4S/c1-11-5-4-6-26(23,24)21(11)9-12-7-15(19)13(8-14(12)18)17(2,3)25-10-16(20)22/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,22)/t11-/m0/s1
InChIKeyITEREYWNCZFNDI-NSHDSACASA-N
XLogP2.02
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
The IUPAC name of 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide (CID 118232786) is 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide.
What is the SMILES notation for 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
The canonical SMILES for 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide is C[C@H]1CCCS(=O)(=O)N1Cc1cc(F)c(C(C)(C)OCC(N)=O)cc1F.
What is the InChIKey of 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
The InChIKey is ITEREYWNCZFNDI-NSHDSACASA-N. The full InChI is InChI=1S/C17H24F2N2O4S/c1-11-5-4-6-26(23,24)21(11)9-12-7-15(19)13(8-14(12)18)17(2,3)25-10-16(20)22/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,22)/t11-/m0/s1.
What are the key properties of 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide?
2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide has a molecular weight of 390.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,5-difluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]propan-2-yloxy]acetamide is sourced from PubChem (CID 118232786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).