3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide

C14H19N3O3S — CID 20921954

IUPAC3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H19N3O3S/c1-10(2)9-15-14(18)8-7-13-16-11-5-3-4-6-12(11)21(19,20)17-13/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKEGRZKKNAXWNKU-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.75
Rot. Bonds5

About 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide

3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide (PubChem CID 20921954) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
PubChem CID20921954
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H19N3O3S/c1-10(2)9-15-14(18)8-7-13-16-11-5-3-4-6-12(11)21(19,20)17-13/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKEGRZKKNAXWNKU-UHFFFAOYSA-N
XLogP1.75
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide 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 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide (CID 20921954) is 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is KEGRZKKNAXWNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(2)9-15-14(18)8-7-13-16-11-5-3-4-6-12(11)21(19,20)17-13/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide?
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 309.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 20921954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).