N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C13H16N2O3S — CID 2229757

IUPACN-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C13H16N2O3S/c1-18-7-6-14-12(16)8-11-13(17)15-9-4-2-3-5-10(9)19-11/h2-5,11H,6-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyZYIPLPYKTLYYNC-NSHDSACASA-N
MW280.35 g/mol
LogP1.25
Rot. Bonds5

About N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 2229757) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID2229757
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C13H16N2O3S/c1-18-7-6-14-12(16)8-11-13(17)15-9-4-2-3-5-10(9)19-11/h2-5,11H,6-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyZYIPLPYKTLYYNC-NSHDSACASA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 2229757) is N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is COCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is ZYIPLPYKTLYYNC-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-7-6-14-12(16)8-11-13(17)15-9-4-2-3-5-10(9)19-11/h2-5,11H,6-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 2229757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).