methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate

C18H18N2O6S2 — CID 20917528

IUPACmethyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
SMILESCOC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc21
InChIInChI=1S/C18H18N2O6S2/c1-25-13-5-3-4-12(8-13)19-28(23,24)14-6-7-16-15(9-14)20(10-18(22)26-2)17(21)11-27-16/h3-9,19H,10-11H2,1-2H3
InChIKeyGHKGQNFEVKDSHG-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.11
Rot. Bonds6

About methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate

methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate (PubChem CID 20917528) has the molecular formula C18H18N2O6S2 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
PubChem CID20917528
Molecular FormulaC18H18N2O6S2
Molecular Weight422.48 g/mol
Exact Mass422.06
IUPAC Namemethyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
SMILESCOC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc21
InChIInChI=1S/C18H18N2O6S2/c1-25-13-5-3-4-12(8-13)19-28(23,24)14-6-7-16-15(9-14)20(10-18(22)26-2)17(21)11-27-16/h3-9,19H,10-11H2,1-2H3
InChIKeyGHKGQNFEVKDSHG-UHFFFAOYSA-N
XLogP2.11
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate
CID 20917588
N-(3-methoxyphenyl)-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 20903114
methyl 2-[6-(3-methylbutylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917559
methyl 2-[6-[(2,5-diethoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917582
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798
methyl 2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917549
4-[2-(3-methoxyanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777148
N-(3-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777390
methyl 2-[6-(4-cyclopentylpiperazin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917591
methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate
CID 126460552
4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one
CID 20964947
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate?
The IUPAC name of methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate (CID 20917528) is methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate.
What is the SMILES notation for methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate?
The canonical SMILES for methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate is COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc21.
What is the InChIKey of methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate?
The InChIKey is GHKGQNFEVKDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S2/c1-25-13-5-3-4-12(8-13)19-28(23,24)14-6-7-16-15(9-14)20(10-18(22)26-2)17(21)11-27-16/h3-9,19H,10-11H2,1-2H3.
What are the key properties of methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate?
methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate has a molecular weight of 422.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate is sourced from PubChem (CID 20917528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).