5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide

C23H19ClN2O3S — CID 51583440

IUPAC5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c24-16-10-11-20(17(12-16)23(25)28)29-13-22(27)26-18-8-4-5-9-21(18)30-14-19(26)15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H2,25,28)/t19-/m0/s1
InChIKeyFAYNDEUZVVYIQO-IBGZPJMESA-N
MW438.94 g/mol
LogP4.70
Rot. Bonds5

About 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide

5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide (PubChem CID 51583440) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide
PubChem CID51583440
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c24-16-10-11-20(17(12-16)23(25)28)29-13-22(27)26-18-8-4-5-9-21(18)30-14-19(26)15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H2,25,28)/t19-/m0/s1
InChIKeyFAYNDEUZVVYIQO-IBGZPJMESA-N
XLogP4.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] cyclopentanecarboxylate
CID 7699247
[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 4-hydroxybenzoate
CID 7696027
[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 7701742
[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 4-fluorobenzoate
CID 7696312
[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 4-fluorobenzoate
CID 7696315
[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 5-bromopyridine-3-carboxylate
CID 40984977
[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46824614
2-(2-methoxyphenoxy)-1-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110738121
1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 26919090
5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
CID 27266848
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 8023681
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 41217173

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide (CID 51583440) is 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1.
What is the InChIKey of 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide?
The InChIKey is FAYNDEUZVVYIQO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c24-16-10-11-20(17(12-16)23(25)28)29-13-22(27)26-18-8-4-5-9-21(18)30-14-19(26)15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H2,25,28)/t19-/m0/s1.
What are the key properties of 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide?
5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide has a molecular weight of 438.94 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethoxy]benzamide is sourced from PubChem (CID 51583440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).