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

Chemical Formula of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide (C18H20N2O3S)

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

2D chemical structure image of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide
Chemical Formula C18H20N2O3S
Molecular Weight 344.428 g/mol
IUPAC Name N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide
SMILES String CN2C(=O)COc3c(NC(=O)CCCCc1cccs1)cccc23
InChI 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)
InChIKey CQOWIAGMOVTSKY-UHFFFAOYSA-N

Chemical Formula Description

The N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide molecule contains a total of 44 atom(s). There are 20 Hydrogen atom(s), 18 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s) and 1 Sulfur atom(s). A chemical formula of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide can therefore be written as:

C18H20N2O3S

The chemical formula of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide
Ball-and-stick model of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide

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


  • 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

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the 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 is given below, if available:



    None available.


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 chemical formula of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide?
C18H20N2O3S
How many atoms and what are they in the N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide structure?
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 are they 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 molecular weight of N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-5-(thiophen-2-yl)pentanamide?
344.428 g/mol
What’s the SMILES string 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 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 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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