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

C18H18N2O3S — CID 18111140

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCCOc1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(19-10-11-23-14-6-2-1-3-7-14)12-20-15-8-4-5-9-16(15)24-13-18(20)22/h1-9H,10-13H2,(H,19,21)
InChIKeyXWCAVONDOZFCFY-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.32
Rot. Bonds6

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

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide (PubChem CID 18111140) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
PubChem CID18111140
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCCOc1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(19-10-11-23-14-6-2-1-3-7-14)12-20-15-8-4-5-9-16(15)24-13-18(20)22/h1-9H,10-13H2,(H,19,21)
InChIKeyXWCAVONDOZFCFY-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
CID 18120233
N-[3-(2-methylpropoxy)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51218542
7-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]heptanoic acid
CID 119227237
N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119430219
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 5115832
N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660987
2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262033
methyl 4-[2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl]benzoate
CID 36774416
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3585140
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 37393707

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide (CID 18111140) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NCCOc1ccccc1.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is XWCAVONDOZFCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(19-10-11-23-14-6-2-1-3-7-14)12-20-15-8-4-5-9-16(15)24-13-18(20)22/h1-9H,10-13H2,(H,19,21).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 18111140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).