2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide

C19H20N2O3S — CID 51241507

IUPAC2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NCCCOc3ccccc3)cc2NC1=O
InChIInChI=1S/C19H20N2O3S/c1-13-18(22)21-16-12-14(8-9-17(16)25-13)19(23)20-10-5-11-24-15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZAGOXWBKNJFZIU-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.32
Rot. Bonds6

About 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide

2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51241507) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51241507
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NCCCOc3ccccc3)cc2NC1=O
InChIInChI=1S/C19H20N2O3S/c1-13-18(22)21-16-12-14(8-9-17(16)25-13)19(23)20-10-5-11-24-15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZAGOXWBKNJFZIU-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51545650
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
(2R)-2-methyl-3-oxo-N-(4-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 40791310
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27231270
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenoxypropyl)acetamide
CID 51286535
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 110764915
1-[[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544885
2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 47076374
(2R)-N-(2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41176183
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide (CID 51241507) is 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide is CC1Sc2ccc(C(=O)NCCCOc3ccccc3)cc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is ZAGOXWBKNJFZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-18(22)21-16-12-14(8-9-17(16)25-13)19(23)20-10-5-11-24-15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide?
2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51241507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).