2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide

C19H20N2O2S — CID 2960294

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-12(2)13-7-9-14(10-8-13)20-18(22)11-17-19(23)21-15-5-3-4-6-16(15)24-17/h3-10,12,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGZJADIFHWXTIIX-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.25
Rot. Bonds4

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2960294) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2960294
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-12(2)13-7-9-14(10-8-13)20-18(22)11-17-19(23)21-15-5-3-4-6-16(15)24-17/h3-10,12,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGZJADIFHWXTIIX-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55510985
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
CID 55867373
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2242401
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7276753
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9218867
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2938084
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7455818
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 2960294) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GZJADIFHWXTIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12(2)13-7-9-14(10-8-13)20-18(22)11-17-19(23)21-15-5-3-4-6-16(15)24-17/h3-10,12,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2960294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).