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

C16H14N2O2S — CID 2834468

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,17,19)(H,18,20)
InChIKeyRVRPQUZFIPCUAD-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.13
Rot. Bonds3

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

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide (PubChem CID 2834468) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide
PubChem CID2834468
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,17,19)(H,18,20)
InChIKeyRVRPQUZFIPCUAD-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide (CID 2834468) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide?
The InChIKey is RVRPQUZFIPCUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,17,19)(H,18,20).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-phenylacetamide has a molecular weight of 298.37 g/mol, XLogP of 3.13, 3 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-phenylacetamide is sourced from PubChem (CID 2834468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).