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

C19H19N3O3S — CID 17253519

IUPACN-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccc3)=C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-8-10-16(11-9-14)17-12-18(22(2)26(24,25)21-17)19(23)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyRTOLQGOXNBZKEM-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.17
Rot. Bonds4

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

N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253519) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253519
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccc3)=C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-8-10-16(11-9-14)17-12-18(22(2)26(24,25)21-17)19(23)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyRTOLQGOXNBZKEM-UHFFFAOYSA-N
XLogP2.17
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253519) is N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccc3)=C2)cc1.
What is the InChIKey of N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is RTOLQGOXNBZKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-8-10-16(11-9-14)17-12-18(22(2)26(24,25)21-17)19(23)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).