N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide

C18H19N3O3S — CID 22588805

IUPACN-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccc(C)c(C)c1)C=NS2(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-12-4-7-17-16(8-12)21(11-19-25(17,23)24)10-18(22)20-15-6-5-13(2)14(3)9-15/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyUBKKUPDFDZJOSZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.79
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide

N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide (PubChem CID 22588805) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
PubChem CID22588805
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccc(C)c(C)c1)C=NS2(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-12-4-7-17-16(8-12)21(11-19-25(17,23)24)10-18(22)20-15-6-5-13(2)14(3)9-15/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyUBKKUPDFDZJOSZ-UHFFFAOYSA-N
XLogP2.79
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide (CID 22588805) is N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide is Cc1ccc2c(c1)N(CC(=O)Nc1ccc(C)c(C)c1)C=NS2(=O)=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The InChIKey is UBKKUPDFDZJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-4-7-17-16(8-12)21(11-19-25(17,23)24)10-18(22)20-15-6-5-13(2)14(3)9-15/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(6-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide is sourced from PubChem (CID 22588805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).