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

C15H19N3O4S — CID 17253527

IUPACN-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOCCNC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C15H19N3O4S/c1-11-4-6-12(7-5-11)13-10-14(15(19)16-8-9-22-3)18(2)23(20,21)17-13/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyGAEIIXZCJZSWQJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.62
Rot. Bonds5

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

N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253527) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253527
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOCCNC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C15H19N3O4S/c1-11-4-6-12(7-5-11)13-10-14(15(19)16-8-9-22-3)18(2)23(20,21)17-13/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyGAEIIXZCJZSWQJ-UHFFFAOYSA-N
XLogP0.62
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253527) is N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COCCNC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is GAEIIXZCJZSWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-4-6-12(7-5-11)13-10-14(15(19)16-8-9-22-3)18(2)23(20,21)17-13/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).