N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide

C21H25N3O3S — CID 100770739

IUPACN-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C21H25N3O3S/c1-6-11-24-16(4)22-28(26,27)20-13-17(8-10-19(20)24)21(25)23(5)18-9-7-14(2)15(3)12-18/h7-10,12-13H,6,11H2,1-5H3
InChIKeyYSXCBHROQCBJKQ-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.92
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide

N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide (PubChem CID 100770739) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
PubChem CID100770739
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C21H25N3O3S/c1-6-11-24-16(4)22-28(26,27)20-13-17(8-10-19(20)24)21(25)23(5)18-9-7-14(2)15(3)12-18/h7-10,12-13H,6,11H2,1-5H3
InChIKeyYSXCBHROQCBJKQ-UHFFFAOYSA-N
XLogP3.92
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide 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

3-methyl-1,1-dioxo-N-pentyl-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100770851
3-methyl-N-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 22587493
3-methyl-1,1-dioxo-4-propyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100801748
methyl 4-(3-methyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133159007
N-(4-bromo-2-ethyl-6-methylphenyl)-4-butyl-3-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100801761
N-[(2-fluorophenyl)methyl]-N,3-dimethyl-4-(2-methylpropyl)-1,1-dioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100770905
(4-butyl-3-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 22587532
2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide
CID 83289381
3-methyl-4-(2-methylpropyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 92503303
N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
N-(6-amino-3-pyridinyl)-N,3,4-trimethylbenzamide
CID 115268424

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide (CID 100770739) is N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide is CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)c3ccc(C)c(C)c3)ccc21.
What is the InChIKey of N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
The InChIKey is YSXCBHROQCBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-6-11-24-16(4)22-28(26,27)20-13-17(8-10-19(20)24)21(25)23(5)18-9-7-14(2)15(3)12-18/h7-10,12-13H,6,11H2,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide is sourced from PubChem (CID 100770739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).