2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone

C17H17NO4S — CID 110738197

IUPAC2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCS(=O)c2ccccc21
InChIInChI=1S/C17H17NO4S/c1-21-14-7-3-4-8-15(14)22-12-17(19)18-10-11-23(20)16-9-5-2-6-13(16)18/h2-9H,10-12H2,1H3
InChIKeyHUHCHLZBVZRHBG-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone

2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone (PubChem CID 110738197) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
PubChem CID110738197
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCS(=O)c2ccccc21
InChIInChI=1S/C17H17NO4S/c1-21-14-7-3-4-8-15(14)22-12-17(19)18-10-11-23(20)16-9-5-2-6-13(16)18/h2-9H,10-12H2,1H3
InChIKeyHUHCHLZBVZRHBG-UHFFFAOYSA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110738067
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 110737370
1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 110639329
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(2-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 113078007
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
1-[3-[2-(2-methoxyphenoxy)acetyl]-18-methyl-3,11,18-triazatricyclo[12.3.1.05,10]octadeca-5,7,9-trien-11-yl]propan-1-one
CID 110071747

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone (CID 110738197) is 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone is COc1ccccc1OCC(=O)N1CCS(=O)c2ccccc21.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
The InChIKey is HUHCHLZBVZRHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-21-14-7-3-4-8-15(14)22-12-17(19)18-10-11-23(20)16-9-5-2-6-13(16)18/h2-9H,10-12H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone has a molecular weight of 331.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 110738197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).