N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide

C19H20N2O4S — CID 161310913

IUPACN-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide
SMILESCC(C)(COc1cccc2c1C=NS(=O)(=O)C2)NC(=O)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-19(2,21-18(22)14-7-4-3-5-8-14)13-25-17-10-6-9-15-12-26(23,24)20-11-16(15)17/h3-11H,12-13H2,1-2H3,(H,21,22)
InChIKeyIWUNETNGQVLFSH-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.54
Rot. Bonds5

About N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide

N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide (PubChem CID 161310913) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide
PubChem CID161310913
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide
SMILESCC(C)(COc1cccc2c1C=NS(=O)(=O)C2)NC(=O)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-19(2,21-18(22)14-7-4-3-5-8-14)13-25-17-10-6-9-15-12-26(23,24)20-11-16(15)17/h3-11H,12-13H2,1-2H3,(H,21,22)
InChIKeyIWUNETNGQVLFSH-UHFFFAOYSA-N
XLogP2.54
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide with MolForge

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Related Compounds

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-hydroxybenzamide
CID 158337892
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 147276301
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-methyl-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide;methane
CID 158463399
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 158200647
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide
CID 159585179
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 158725499
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazo[4,5-b]pyridin-1-ylpyridine-4-carboxamide
CID 158080133
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopentyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopentyl]-3-(methylamino)benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopentyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 159676105
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide (CID 161310913) is N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide is CC(C)(COc1cccc2c1C=NS(=O)(=O)C2)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide?
The InChIKey is IWUNETNGQVLFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-19(2,21-18(22)14-7-4-3-5-8-14)13-25-17-10-6-9-15-12-26(23,24)20-11-16(15)17/h3-11H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide?
N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide has a molecular weight of 372.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide is sourced from PubChem (CID 161310913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).