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

C17H24N2O2S — CID 3237413

IUPAC2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCCC(C)C)C1=O
InChIInChI=1S/C17H24N2O2S/c1-4-14-17(21)19(11-16(20)18-10-9-12(2)3)13-7-5-6-8-15(13)22-14/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyMKUMLLNTRCNHAZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.07
Rot. Bonds6

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

2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide (PubChem CID 3237413) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide
PubChem CID3237413
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCCC(C)C)C1=O
InChIInChI=1S/C17H24N2O2S/c1-4-14-17(21)19(11-16(20)18-10-9-12(2)3)13-7-5-6-8-15(13)22-14/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyMKUMLLNTRCNHAZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.07
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-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide (CID 3237413) is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide is CCC1Sc2ccccc2N(CC(=O)NCCC(C)C)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is MKUMLLNTRCNHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-14-17(21)19(11-16(20)18-10-9-12(2)3)13-7-5-6-8-15(13)22-14/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide?
2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 3.07, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 3237413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).