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

C19H19N3O3S — CID 7922294

IUPACN-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2N1
InChIInChI=1S/C19H19N3O3S/c23-18-12-26-17-6-1-13(11-16(17)21-18)19(24)20-14-2-4-15(5-3-14)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,20,24)(H,21,23)
InChIKeyZYVVRQNBFUXDQP-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.82
Rot. Bonds3

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

N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 7922294) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID7922294
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2N1
InChIInChI=1S/C19H19N3O3S/c23-18-12-26-17-6-1-13(11-16(17)21-18)19(24)20-14-2-4-15(5-3-14)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,20,24)(H,21,23)
InChIKeyZYVVRQNBFUXDQP-UHFFFAOYSA-N
XLogP2.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55328476
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-oxo-N-(4-pyrrolidin-1-ylsulfanylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 162521027
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
CID 35875201
4-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 31722234
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 37014872
3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 55778485
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 7922294) is N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2N1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is ZYVVRQNBFUXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-18-12-26-17-6-1-13(11-16(17)21-18)19(24)20-14-2-4-15(5-3-14)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,20,24)(H,21,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 7922294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).