SDF/Mol File of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide (C18H20N2O3S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide Molecule

• Chemical structure of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide is available in chemical structure page of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide, 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-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide

  The molecular weight of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide is available in molecular weight page of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide, 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-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide

  The chemical formula of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide is given in chemical formula page of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide, 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-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide is:

  InChI=1S/C18H20N2O3S/c1-20-15-9-4-8-14(18(15)23-12-17(20)22)19-16(21)10-3-2-6-13-7-5-11-24-13/h4-5,7-9,11H,2-3,6,10,12H2,1H3,(H,19,21)

  It can provide a standard way to encode the molecular information of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide 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-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide is:

  InChIKey=CQOWIAGMOVTSKY-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide

  The N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide including the registry numbers are listed below, if available:

  
  
  None available.

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N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide formula?
C18H20N2O3S
How many atoms and what elements are included in the N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide molecule?
44 atom(s) - 20 Hydrogen atom(s), 18 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 N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide structure?
46 bond(s) - 26 non-H bond(s), 13 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 ether(s) (aromatic), and 1 Thiophene(s)
What’s the N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide’s molar mass?
344.428 g/mol
What’s the SMILES structure of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide?
CN2C(=O)COc3c(NC(=O)CCCCc1cccs1)cccc23
What’s the InChI code of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide?
InChI=1S/C18H20N2O3S/c1-20-15-9-4-8-14(18(15)23-12-17(20)22)19-16(21)10-3-2-6-13-7-5-11-24-13/h4-5,7-9,11H,2-3,6,10,12H2,1H3,(H,19,21)
What’s the InChIKey format of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide?
CQOWIAGMOVTSKY-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).