2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide

C22H27N3O3S — CID 83289381

IUPAC2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide
SMILESCCCN1C(CC(C)C)=NS(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc21
InChIInChI=1S/C22H27N3O3S/c1-5-12-25-19-11-10-17(23-22(26)18-9-7-6-8-16(18)4)14-20(19)29(27,28)24-21(25)13-15(2)3/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,26)
InChIKeyRWOLEOOZNPXYPQ-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.61
Rot. Bonds6

About 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide

2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide (PubChem CID 83289381) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide
PubChem CID83289381
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide
SMILESCCCN1C(CC(C)C)=NS(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc21
InChIInChI=1S/C22H27N3O3S/c1-5-12-25-19-11-10-17(23-22(26)18-9-7-6-8-16(18)4)14-20(19)29(27,28)24-21(25)13-15(2)3/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,26)
InChIKeyRWOLEOOZNPXYPQ-UHFFFAOYSA-N
XLogP4.61
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl]-2-chlorobenzamide
CID 83286807
4-methyl-N-[3-(3-methylphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]-3-(trifluoromethyl)benzamide
CID 83281894
N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100770768
2-methyl-N-[3-(pentan-2-ylamino)phenyl]benzamide
CID 154320890
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylbenzamide
CID 40886928
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide (CID 83289381) is 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide is CCCN1C(CC(C)C)=NS(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc21.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide?
The InChIKey is RWOLEOOZNPXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-5-12-25-19-11-10-17(23-22(26)18-9-7-6-8-16(18)4)14-20(19)29(27,28)24-21(25)13-15(2)3/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,26).
What are the key properties of 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide?
2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide has a molecular weight of 413.54 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide is sourced from PubChem (CID 83289381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).