SDF/Mol File of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide (C20H23FN2O3S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide Molecule

• Chemical structure of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide is available in chemical structure page of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide

  The molecular weight of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide is available in molecular weight page of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide

  The chemical formula of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide is given in chemical formula page of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide is:

  InChI=1S/C20H23FN2O3S/c1-15(13-16-7-9-17(21)10-8-16)20(24)22-18-5-4-6-19(14-18)23-11-2-3-12-27(23,25)26/h4-10,14-15H,2-3,11-13H2,1H3,(H,22,24)

  It can provide a standard way to encode the molecular information of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide is:

  InChIKey=QSARLQYXWNSOKH-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide

  The N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide including the registry numbers are listed below, if available:

  
  
  None available.

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N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide formula?
C20H23FN2O3S
How many atoms and what elements are included in the N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide molecule?
50 atom(s) - 23 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide structure?
52 bond(s) - 29 non-H bond(s), 15 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide’s molar mass?
390.471623 g/mol
What’s the SMILES structure of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide?
CC(Cc1ccc(F)cc1)C(=O)Nc2cccc(c2)N3CCCCS3(=O)=O
What’s the InChI code of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide?
InChI=1S/C20H23FN2O3S/c1-15(13-16-7-9-17(21)10-8-16)20(24)22-18-5-4-6-19(14-18)23-11-2-3-12-27(23,25)26/h4-10,14-15H,2-3,11-13H2,1H3,(H,22,24)
What’s the InChIKey format of N-[3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)phenyl]-3-(4-fluorophenyl)-2-methylpropanamide?
QSARLQYXWNSOKH-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).