N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C17H16N2O2S — CID 954269

IUPACN-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H16N2O2S/c1-12-6-2-3-7-13(12)18-16(20)10-19-14-8-4-5-9-15(14)22-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyLZIQHEYXIQSVSY-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.07
Rot. Bonds3

About N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 954269) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID954269
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H16N2O2S/c1-12-6-2-3-7-13(12)18-16(20)10-19-14-8-4-5-9-15(14)22-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyLZIQHEYXIQSVSY-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 954269) is N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is LZIQHEYXIQSVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-6-2-3-7-13(12)18-16(20)10-19-14-8-4-5-9-15(14)22-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 954269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).