2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C19H19N3O3S2 — CID 22515167

IUPAC2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C19H19N3O3S2/c1-13-8-10-14(11-9-13)16-12-17(22(2)27(24,25)21-16)19(23)20-15-6-4-5-7-18(15)26-3/h4-12H,1-3H3,(H,20,23)
InChIKeyQYGLAZKKQOAENN-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515167) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515167
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C19H19N3O3S2/c1-13-8-10-14(11-9-13)16-12-17(22(2)27(24,25)21-16)19(23)20-15-6-4-5-7-18(15)26-3/h4-12H,1-3H3,(H,20,23)
InChIKeyQYGLAZKKQOAENN-UHFFFAOYSA-N
XLogP3.22
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515167) is 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CSc1ccccc1NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is QYGLAZKKQOAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-13-8-10-14(11-9-13)16-12-17(22(2)27(24,25)21-16)19(23)20-15-6-4-5-7-18(15)26-3/h4-12H,1-3H3,(H,20,23).
What are the key properties of 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).