2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide

C17H16N2O3S — CID 9227408

IUPAC2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)NOCc1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-16(19-22-11-12-6-2-1-3-7-12)10-15-17(21)18-13-8-4-5-9-14(13)23-15/h1-9,15H,10-11H2,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyDMVOUVDUPNJQKQ-OAHLLOKOSA-N
MW328.39 g/mol
LogP2.74
Rot. Bonds5

About 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide

2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide (PubChem CID 9227408) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide
PubChem CID9227408
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)NOCc1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-16(19-22-11-12-6-2-1-3-7-12)10-15-17(21)18-13-8-4-5-9-14(13)23-15/h1-9,15H,10-11H2,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyDMVOUVDUPNJQKQ-OAHLLOKOSA-N
XLogP2.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-3-phenylurea
CID 2820270
N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide
CID 9206546
[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino] 2-chlorobenzoate
CID 6976517
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 42898951
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55869301
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide?
The IUPAC name of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide (CID 9227408) is 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide?
The canonical SMILES for 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide is O=C(C[C@H]1Sc2ccccc2NC1=O)NOCc1ccccc1.
What is the InChIKey of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide?
The InChIKey is DMVOUVDUPNJQKQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-16(19-22-11-12-6-2-1-3-7-12)10-15-17(21)18-13-8-4-5-9-14(13)23-15/h1-9,15H,10-11H2,(H,18,21)(H,19,20)/t15-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide?
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide has a molecular weight of 328.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide is sourced from PubChem (CID 9227408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).