(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide

C21H23N3O3S — CID 92696425

IUPAC(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-14(15-5-3-2-4-6-15)22-19(25)16-7-8-18-17(13-16)23-20(26)21(28-18)24-9-11-27-12-10-24/h2-8,13-14,21H,9-12H2,1H3,(H,22,25)(H,23,26)/t14-,21-/m1/s1
InChIKeyGBSFBYHUOAGPRK-SPLOXXLWSA-N
MW397.50 g/mol
LogP2.88
Rot. Bonds4

About (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide

(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 92696425) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
PubChem CID92696425
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-14(15-5-3-2-4-6-15)22-19(25)16-7-8-18-17(13-16)23-20(26)21(28-18)24-9-11-27-12-10-24/h2-8,13-14,21H,9-12H2,1H3,(H,22,25)(H,23,26)/t14-,21-/m1/s1
InChIKeyGBSFBYHUOAGPRK-SPLOXXLWSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide (CID 92696425) is (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1.
What is the InChIKey of (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is GBSFBYHUOAGPRK-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14(15-5-3-2-4-6-15)22-19(25)16-7-8-18-17(13-16)23-20(26)21(28-18)24-9-11-27-12-10-24/h2-8,13-14,21H,9-12H2,1H3,(H,22,25)(H,23,26)/t14-,21-/m1/s1.
What are the key properties of (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide?
(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 92696425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).