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

C12H14N2O2S — CID 729474

IUPACN-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C12H14N2O2S/c1-2-13-11(15)7-10-12(16)14-8-5-3-4-6-9(8)17-10/h3-6,10H,2,7H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyCXYJAGBKQFSQFP-JTQLQIEISA-N
MW250.32 g/mol
LogP1.63
Rot. Bonds3

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

N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 729474) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID729474
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C12H14N2O2S/c1-2-13-11(15)7-10-12(16)14-8-5-3-4-6-9(8)17-10/h3-6,10H,2,7H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyCXYJAGBKQFSQFP-JTQLQIEISA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
(2R)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751402
(2S)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751407
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
CID 55867373
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 25397114
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 94798573
N-(3-butoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165918
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
N-[2-(2-methylphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41013278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 729474) is N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is CXYJAGBKQFSQFP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-13-11(15)7-10-12(16)14-8-5-3-4-6-9(8)17-10/h3-6,10H,2,7H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1.
What are the key properties of N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 250.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 729474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).