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

C17H17N3O5S — CID 22588771

IUPACN-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2=NS(=O)(=O)c3ccccc3N2)c(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-11-7-8-12(14(9-11)25-2)19-17(21)10-16-18-13-5-3-4-6-15(13)26(22,23)20-16/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKPUUIPNXCWFONU-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.25
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (PubChem CID 22588771) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
PubChem CID22588771
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2=NS(=O)(=O)c3ccccc3N2)c(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-11-7-8-12(14(9-11)25-2)19-17(21)10-16-18-13-5-3-4-6-15(13)26(22,23)20-16/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKPUUIPNXCWFONU-UHFFFAOYSA-N
XLogP2.25
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide with MolForge

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Related Compounds

ethyl 2-(6-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetate
CID 91148825
2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110771854
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711
N-(2,4-dimethoxyphenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680145
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (CID 22588771) is N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is COc1ccc(NC(=O)CC2=NS(=O)(=O)c3ccccc3N2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The InChIKey is KPUUIPNXCWFONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-24-11-7-8-12(14(9-11)25-2)19-17(21)10-16-18-13-5-3-4-6-15(13)26(22,23)20-16/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is sourced from PubChem (CID 22588771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).