2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C18H20N2O6S — CID 154831020

IUPAC2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCOCCN1C(=O)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C18H20N2O6S/c1-24-11-10-19-14-6-4-5-7-17(14)27(22,23)20(18(19)21)13-8-9-15(25-2)16(12-13)26-3/h4-9,12H,10-11H2,1-3H3
InChIKeyYFITULSRIPMVPM-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.49
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 154831020) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID154831020
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCOCCN1C(=O)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C18H20N2O6S/c1-24-11-10-19-14-6-4-5-7-17(14)27(22,23)20(18(19)21)13-8-9-15(25-2)16(12-13)26-3/h4-9,12H,10-11H2,1-3H3
InChIKeyYFITULSRIPMVPM-UHFFFAOYSA-N
XLogP2.49
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 154831020) is 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is COCCN1C(=O)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is YFITULSRIPMVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-11-10-19-14-6-4-5-7-17(14)27(22,23)20(18(19)21)13-8-9-15(25-2)16(12-13)26-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 392.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 154831020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).