(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C19H20N2O4S — CID 51545650

IUPAC(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2
InChIInChI=1S/C19H20N2O4S/c1-12-18(22)21-14-11-13(7-8-17(14)26-12)19(23)20-9-10-25-16-6-4-3-5-15(16)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyGKVPGBSSSNVEHY-GFCCVEGCSA-N
MW372.45 g/mol
LogP2.94
Rot. Bonds6

About (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51545650) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51545650
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2
InChIInChI=1S/C19H20N2O4S/c1-12-18(22)21-14-11-13(7-8-17(14)26-12)19(23)20-9-10-25-16-6-4-3-5-15(16)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyGKVPGBSSSNVEHY-GFCCVEGCSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51241507
(2R)-N-(2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41176183
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
2-methoxy-5-[[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]benzoic acid
CID 122136455
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
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 110764915
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51148430
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51545650) is (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COc1ccccc1OCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2.
What is the InChIKey of (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is GKVPGBSSSNVEHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-18(22)21-14-11-13(7-8-17(14)26-12)19(23)20-9-10-25-16-6-4-3-5-15(16)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51545650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).