N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

C19H20N2O2S — CID 9192811

IUPACN-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-2-14-7-3-4-8-15(14)20-18(22)11-12-21-16-9-5-6-10-17(16)24-13-19(21)23/h3-10H,2,11-13H2,1H3,(H,20,22)
InChIKeyQZJJZVBLBQUSJT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.72
Rot. Bonds5

About N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 9192811) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID9192811
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-2-14-7-3-4-8-15(14)20-18(22)11-12-21-16-9-5-6-10-17(16)24-13-19(21)23/h3-10H,2,11-13H2,1H3,(H,20,22)
InChIKeyQZJJZVBLBQUSJT-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 16563201
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46644184
N-(4-bromo-2-chlorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 16563148
(2S)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-N-propylpropanamide
CID 9227813
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210299
[2-(2-methoxyanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921625
propyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 27669347
N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 24563044
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9328731
ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
4-tert-butyl-N'-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]benzohydrazide
CID 9327474
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210880

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 9192811) is N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is CCc1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is QZJJZVBLBQUSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-14-7-3-4-8-15(14)20-18(22)11-12-21-16-9-5-6-10-17(16)24-13-19(21)23/h3-10H,2,11-13H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 9192811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).