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

C16H12N2O2S — CID 899391

IUPACN-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(=O)c2ccccc2s1
InChIInChI=1S/C16H12N2O2S/c19-14(10-11-6-2-1-3-7-11)17-16-18-15(20)12-8-4-5-9-13(12)21-16/h1-9H,10H2,(H,17,18,19,20)
InChIKeyGXWQNGHTCSQRDN-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.84
Rot. Bonds3

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

N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide (PubChem CID 899391) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide
PubChem CID899391
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(=O)c2ccccc2s1
InChIInChI=1S/C16H12N2O2S/c19-14(10-11-6-2-1-3-7-11)17-16-18-15(20)12-8-4-5-9-13(12)21-16/h1-9H,10H2,(H,17,18,19,20)
InChIKeyGXWQNGHTCSQRDN-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide?
The IUPAC name of N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide (CID 899391) is N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc(=O)c2ccccc2s1.
What is the InChIKey of N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide?
The InChIKey is GXWQNGHTCSQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-14(10-11-6-2-1-3-7-11)17-16-18-15(20)12-8-4-5-9-13(12)21-16/h1-9H,10H2,(H,17,18,19,20).
What are the key properties of N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide?
N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide has a molecular weight of 296.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1,3-benzothiazin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 899391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).