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

C20H22N2O2S — CID 3650753

IUPAC2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C20H22N2O2S/c1-2-17-20(24)22(16-10-6-7-11-18(16)25-17)14-19(23)21-13-12-15-8-4-3-5-9-15/h3-11,17H,2,12-14H2,1H3,(H,21,23)
InChIKeyHYTXDLZSWFFFCS-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.26
Rot. Bonds6

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

2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 3650753) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID3650753
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C20H22N2O2S/c1-2-17-20(24)22(16-10-6-7-11-18(16)25-17)14-19(23)21-13-12-15-8-4-3-5-9-15/h3-11,17H,2,12-14H2,1H3,(H,21,23)
InChIKeyHYTXDLZSWFFFCS-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide (CID 3650753) is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide is CCC1Sc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is HYTXDLZSWFFFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-17-20(24)22(16-10-6-7-11-18(16)25-17)14-19(23)21-13-12-15-8-4-3-5-9-15/h3-11,17H,2,12-14H2,1H3,(H,21,23).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide?
2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 354.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3650753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).