SDF/Mol File of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide (C19H20N2O3S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide Molecule

• Chemical structure of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide is available in chemical structure page of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide

  The molecular weight of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide is available in molecular weight page of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide, 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 (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide

  The chemical formula of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide is given in chemical formula page of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide, 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 (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide is:

  InChI=1S/C19H20N2O3S/c1-14(12-15-6-4-3-5-7-15)19(22)20-17-8-9-18-16(13-17)10-11-21(18)25(2,23)24/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)/b14-12+

  It can provide a standard way to encode the molecular information of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide 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 (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide is:

  InChIKey=UQDFKFZWWKZPOG-WYMLVPIESA-N

  The InChIKey may allow easier web searches for (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide, but it needs to be linked to the full InChI to get back to the original structure of the (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide

  The (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide including the registry numbers are listed below, if available:

  
  
  None available.

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(2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide Identification Summary Frequently Asked Questions (FAQs)

What’s the (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide formula?
C19H20N2O3S
How many atoms and what elements are included in the (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide molecule?
45 atom(s) - 20 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are in the (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide structure?
47 bond(s) - 27 non-H bond(s), 16 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide’s molar mass?
356.4387 g/mol
What’s the SMILES structure of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide?
CC(=Cc1ccccc1)C(=O)Nc3ccc2N(CCc2c3)S(C)(=O)=O
What’s the InChI code of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide?
InChI=1S/C19H20N2O3S/c1-14(12-15-6-4-3-5-7-15)19(22)20-17-8-9-18-16(13-17)10-11-21(18)25(2,23)24/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)/b14-12+
What’s the InChIKey format of (2E)-N-(1-methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-2-methyl-3-phenylprop-2-enamide?
UQDFKFZWWKZPOG-WYMLVPIESA-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).