2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide

C23H20ClN3O5S — CID 154831423

IUPAC2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-15-7-8-16(24)13-20(15)27-23(29)26(19-5-3-4-6-21(19)33(27,30)31)14-22(28)25-17-9-11-18(32-2)12-10-17/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyTVZDWKLFLSBJDD-UHFFFAOYSA-N
MW485.95 g/mol
LogP4.43
Rot. Bonds5

About 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide

2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 154831423) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID154831423
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-15-7-8-16(24)13-20(15)27-23(29)26(19-5-3-4-6-21(19)33(27,30)31)14-22(28)25-17-9-11-18(32-2)12-10-17/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyTVZDWKLFLSBJDD-UHFFFAOYSA-N
XLogP4.43
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide 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-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide (CID 154831423) is 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)N(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is TVZDWKLFLSBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c1-15-7-8-16(24)13-20(15)27-23(29)26(19-5-3-4-6-21(19)33(27,30)31)14-22(28)25-17-9-11-18(32-2)12-10-17/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 485.95 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 154831423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).