3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide

C21H16N2O3S — CID 55344492

IUPAC3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc2N1
InChIInChI=1S/C21H16N2O3S/c24-20-13-27-19-10-9-14(11-18(19)23-20)21(25)22-15-5-4-8-17(12-15)26-16-6-2-1-3-7-16/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyWHQXEGWLOLFHLS-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.78
Rot. Bonds4

About 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 55344492) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID55344492
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc2N1
InChIInChI=1S/C21H16N2O3S/c24-20-13-27-19-10-9-14(11-18(19)23-20)21(25)22-15-5-4-8-17(12-15)26-16-6-2-1-3-7-16/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyWHQXEGWLOLFHLS-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

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51145660
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide (CID 55344492) is 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc2N1.
What is the InChIKey of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is WHQXEGWLOLFHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-20-13-27-19-10-9-14(11-18(19)23-20)21(25)22-15-5-4-8-17(12-15)26-16-6-2-1-3-7-16/h1-12H,13H2,(H,22,25)(H,23,24).
What are the key properties of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide 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 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 55344492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).