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

C16H22N2O2S — CID 3424085

IUPACN-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(CC)Sc2ccccc21
InChIInChI=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)
InChIKeyWFKAWVDIHYILGQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.82
Rot. Bonds5

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 NameN-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID3424085
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-butan-2-yl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(CC)Sc2ccccc21
InChIInChI=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)
InChIKeyWFKAWVDIHYILGQ-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).