N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H16N2O3S — CID 24980867

IUPACN-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C18H16N2O3S/c1-10(21)13-5-3-4-6-14(13)19-18(23)12-7-8-16-15(9-12)20-17(22)11(2)24-16/h3-9,11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyZFTPLJYMDBUSPJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.57
Rot. Bonds3

About N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 24980867) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID24980867
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C18H16N2O3S/c1-10(21)13-5-3-4-6-14(13)19-18(23)12-7-8-16-15(9-12)20-17(22)11(2)24-16/h3-9,11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyZFTPLJYMDBUSPJ-UHFFFAOYSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 24980867) is N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is ZFTPLJYMDBUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-10(21)13-5-3-4-6-14(13)19-18(23)12-7-8-16-15(9-12)20-17(22)11(2)24-16/h3-9,11H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 24980867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).