methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate

C20H19NO8S — CID 23612166

IUPACmethyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
SMILESCOC(=O)C1=C(OC(=O)COc2ccc(OC)cc2)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C20H19NO8S/c1-21-18(20(23)27-3)19(15-6-4-5-7-16(15)30(21,24)25)29-17(22)12-28-14-10-8-13(26-2)9-11-14/h4-11H,12H2,1-3H3
InChIKeyGUTQZTHTNITHBL-UHFFFAOYSA-N
MW433.44 g/mol
LogP1.79
Rot. Bonds6

About methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate

methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate (PubChem CID 23612166) has the molecular formula C20H19NO8S and a molecular weight of 433.44 g/mol. Its IUPAC name is methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
PubChem CID23612166
Molecular FormulaC20H19NO8S
Molecular Weight433.44 g/mol
Exact Mass433.08
IUPAC Namemethyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
SMILESCOC(=O)C1=C(OC(=O)COc2ccc(OC)cc2)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C20H19NO8S/c1-21-18(20(23)27-3)19(15-6-4-5-7-16(15)30(21,24)25)29-17(22)12-28-14-10-8-13(26-2)9-11-14/h4-11H,12H2,1-3H3
InChIKeyGUTQZTHTNITHBL-UHFFFAOYSA-N
XLogP1.79
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate with MolForge

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Related Compounds

methyl 4-(2-methoxybenzoyl)oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
CID 23612158
N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide
CID 23605516
methyl 4-hydroxy-1,1-dioxo-2-(tritritiomethyl)-1λ6,2-benzothiazine-3-carboxylate
CID 54713078
(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl) acetate
CID 2001435
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
CID 1194399
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
[2-methyl-3-(4-methylbenzoyl)-1,1-dioxo-1λ6,2-benzothiazin-4-yl] acetate
CID 46908010

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
The IUPAC name of methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate (CID 23612166) is methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate is COC(=O)C1=C(OC(=O)COc2ccc(OC)cc2)c2ccccc2S(=O)(=O)N1C.
What is the InChIKey of methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
The InChIKey is GUTQZTHTNITHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO8S/c1-21-18(20(23)27-3)19(15-6-4-5-7-16(15)30(21,24)25)29-17(22)12-28-14-10-8-13(26-2)9-11-14/h4-11H,12H2,1-3H3.
What are the key properties of methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate is sourced from PubChem (CID 23612166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).