N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide

C21H16N2O3S — CID 35875024

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
SMILESO=C1CSc2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2N1
InChIInChI=1S/C21H16N2O3S/c24-20-13-27-19-10-9-15(12-18(19)23-20)22-21(25)14-5-4-8-17(11-14)26-16-6-2-1-3-7-16/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyLROAULLBVKJUKN-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.78
Rot. Bonds4

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide (PubChem CID 35875024) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
PubChem CID35875024
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
SMILESO=C1CSc2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2N1
InChIInChI=1S/C21H16N2O3S/c24-20-13-27-19-10-9-15(12-18(19)23-20)22-21(25)14-5-4-8-17(11-14)26-16-6-2-1-3-7-16/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyLROAULLBVKJUKN-UHFFFAOYSA-N
XLogP4.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide (CID 35875024) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide is O=C1CSc2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide?
The InChIKey is LROAULLBVKJUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-20-13-27-19-10-9-15(12-18(19)23-20)22-21(25)14-5-4-8-17(11-14)26-16-6-2-1-3-7-16/h1-12H,13H2,(H,22,25)(H,23,24).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide has a molecular weight of 376.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide is sourced from PubChem (CID 35875024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).