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

C20H22N2O3S — CID 18120233

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCCCCOc1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-19(21-12-6-7-13-25-16-8-2-1-3-9-16)14-22-17-10-4-5-11-18(17)26-15-20(22)24/h1-5,8-11H,6-7,12-15H2,(H,21,23)
InChIKeyZPFDYDMYYJEWPT-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.10
Rot. Bonds8

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

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide (PubChem CID 18120233) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
PubChem CID18120233
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCCCCOc1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-19(21-12-6-7-13-25-16-8-2-1-3-9-16)14-22-17-10-4-5-11-18(17)26-15-20(22)24/h1-5,8-11H,6-7,12-15H2,(H,21,23)
InChIKeyZPFDYDMYYJEWPT-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
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
N-[3-(2-methylpropoxy)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51218542
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 37393707
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-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3690841
N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660987
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262031
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide (CID 18120233) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NCCCCOc1ccccc1.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide?
The InChIKey is ZPFDYDMYYJEWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-19(21-12-6-7-13-25-16-8-2-1-3-9-16)14-22-17-10-4-5-11-18(17)26-15-20(22)24/h1-5,8-11H,6-7,12-15H2,(H,21,23).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.10, 8 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-(4-phenoxybutyl)acetamide is sourced from PubChem (CID 18120233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).