ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate

C19H20N2O3S — CID 20907182

IUPACethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)N1CC(C)Sc2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-3-24-18(22)14-8-4-5-9-15(14)20-19(23)21-12-13(2)25-17-11-7-6-10-16(17)21/h4-11,13H,3,12H2,1-2H3,(H,20,23)
InChIKeyYZJPDYCSWJODFV-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.40
Rot. Bonds3

About ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate

ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate (PubChem CID 20907182) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate
PubChem CID20907182
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Nameethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)N1CC(C)Sc2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-3-24-18(22)14-8-4-5-9-15(14)20-19(23)21-12-13(2)25-17-11-7-6-10-16(17)21/h4-11,13H,3,12H2,1-2H3,(H,20,23)
InChIKeyYZJPDYCSWJODFV-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate (CID 20907182) is ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)N1CC(C)Sc2ccccc21.
What is the InChIKey of ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate?
The InChIKey is YZJPDYCSWJODFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-24-18(22)14-8-4-5-9-15(14)20-19(23)21-12-13(2)25-17-11-7-6-10-16(17)21/h4-11,13H,3,12H2,1-2H3,(H,20,23).
What are the key properties of ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate?
ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate has a molecular weight of 356.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 20907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).