N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide

C17H17N3O3S — CID 22588773

IUPACN-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C17H17N3O3S/c1-11-6-5-7-12(2)17(11)19-16(21)10-15-18-13-8-3-4-9-14(13)24(22,23)20-15/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGUJABQOZHPAHHJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.84
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide

N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (PubChem CID 22588773) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
PubChem CID22588773
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C17H17N3O3S/c1-11-6-5-7-12(2)17(11)19-16(21)10-15-18-13-8-3-4-9-14(13)24(22,23)20-15/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGUJABQOZHPAHHJ-UHFFFAOYSA-N
XLogP2.84
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 22588771
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 46274970
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide
CID 22588518
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
CID 20921954
3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4132234
3-(2-chloroethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 3532338
(3R)-N-(3,4-difluorophenyl)-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
CID 92715069
4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-(3-methoxypropyl)butanamide
CID 15996356
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)ethanone
CID 20902319
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 46279820
(3S)-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3-methyl-N-(3-phenylpropyl)butanamide
CID 42585078
2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 16823433

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (CID 22588773) is N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is Cc1cccc(C)c1NC(=O)CC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The InChIKey is GUJABQOZHPAHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-6-5-7-12(2)17(11)19-16(21)10-15-18-13-8-3-4-9-14(13)24(22,23)20-15/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is sourced from PubChem (CID 22588773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).