2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

C14H16N2O3S — CID 84614916

IUPAC2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCC(=O)c1ccc2c(c1)N(CC(N)=O)C(=O)C(C)(C)S2
InChIInChI=1S/C14H16N2O3S/c1-8(17)9-4-5-11-10(6-9)16(7-12(15)18)13(19)14(2,3)20-11/h4-6H,7H2,1-3H3,(H2,15,18)
InChIKeyNPBLLCGYBBLVGL-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.59
Rot. Bonds3

About 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 84614916) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID84614916
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCC(=O)c1ccc2c(c1)N(CC(N)=O)C(=O)C(C)(C)S2
InChIInChI=1S/C14H16N2O3S/c1-8(17)9-4-5-11-10(6-9)16(7-12(15)18)13(19)14(2,3)20-11/h4-6H,7H2,1-3H3,(H2,15,18)
InChIKeyNPBLLCGYBBLVGL-UHFFFAOYSA-N
XLogP1.59
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-4-(2-hydroxyethyl)-2,2-dimethyl-1,4-benzothiazin-3-one
CID 84614921
2,2-dimethyl-6-propanoyl-4-propyl-1,4-benzothiazin-3-one
CID 84615023
4-(2-hydroxyethyl)-2,2-dimethyl-6-propanoyl-1,4-benzothiazin-3-one
CID 84615034
2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 130727550
2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-methylacetamide
CID 84615505
2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 82022125
2,2-dimethyl-7-propanoyl-4-propyl-1,4-benzothiazin-3-one
CID 84615413
2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide
CID 133466533
1-(6-acetyl-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)-2,2,2-trifluoroethanone
CID 71682478
5-acetyl-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one
CID 84758344
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746
6-acetyl-2,2-dimethyl-4-propyl-1,4-benzoxazin-3-one
CID 28816456

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 84614916) is 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is CC(=O)c1ccc2c(c1)N(CC(N)=O)C(=O)C(C)(C)S2.
What is the InChIKey of 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is NPBLLCGYBBLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8(17)9-4-5-11-10(6-9)16(7-12(15)18)13(19)14(2,3)20-11/h4-6H,7H2,1-3H3,(H2,15,18).
What are the key properties of 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 84614916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).