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

C₁₆H₂₂N₂O₂S — CID 3424085

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

N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 3424085) has the molecular formula C₁₆H₂₂N₂O₂S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
• PubChem CID: 3424085
• Molecular Formula: C₁₆H₂₂N₂O₂S
• Molecular Weight: 306.43 g/mol
• Exact Mass: 306.14
• IUPAC Name: N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
• SMILES: CCC(C)NC(=O)CN1C(=O)C(CC)Sc2ccccc21
• InChI: InChI=1S/C16H22N2O2S/c1-4-11(3)17-15(19)10-18-12-8-6-7-9-14(12)21-13(5-2)16(18)20/h6-9,11,13H,4-5,10H2,1-3H3,(H,17,19)
• InChIKey: WFKAWVDIHYILGQ-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.43
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?

The IUPAC name of N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 3424085) is N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.

What is the SMILES notation for N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?

The canonical SMILES for N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is CCC(C)NC(=O)CN1C(=O)C(CC)Sc2ccccc21.

What is the InChIKey of N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?

The InChIKey is WFKAWVDIHYILGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-11(3)17-15(19)10-18-12-8-6-7-9-14(12)21-13(5-2)16(18)20/h6-9,11,13H,4-5,10H2,1-3H3,(H,17,19).

What are the key properties of N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?

N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 306.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 3424085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3424085 — identifiers, structure, computed properties (public domain)

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