2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide

C17H17N3O3S2 — CID 16832715

IUPAC2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C17H17N3O3S2/c1-2-12-7-3-4-8-13(12)18-16(21)11-24-17-19-14-9-5-6-10-15(14)25(22,23)20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyQGXOPVSNHHZAOZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.09
Rot. Bonds4

About 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide

2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide (PubChem CID 16832715) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
PubChem CID16832715
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C17H17N3O3S2/c1-2-12-7-3-4-8-13(12)18-16(21)11-24-17-19-14-9-5-6-10-15(14)25(22,23)20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyQGXOPVSNHHZAOZ-UHFFFAOYSA-N
XLogP3.09
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18579957
2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 16823433
methyl 4-[[2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 18580017
N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18579973
N-(5-chloro-2-methoxyphenyl)-2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 22588971
N-(2,5-dimethylphenyl)-2-[(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 22588831
ethyl 2-[[2-[(7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 18580014
2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 18579931
N-(4-acetamidophenyl)-2-[(7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18580022
N-(3,5-dimethylphenyl)-2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 7386859
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166
3-(2,2-dimethoxyethylsulfanyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 82213817

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide (CID 16832715) is 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide?
The InChIKey is QGXOPVSNHHZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-2-12-7-3-4-8-13(12)18-16(21)11-24-17-19-14-9-5-6-10-15(14)25(22,23)20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide?
2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 16832715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).