N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide

C16H21N3O4S — CID 83279439

IUPACN-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide
SMILESCCC1=NS(=O)(=O)c2cc(NC(C)=O)ccc2N1CC1CCCO1
InChIInChI=1S/C16H21N3O4S/c1-3-16-18-24(21,22)15-9-12(17-11(2)20)6-7-14(15)19(16)10-13-5-4-8-23-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,17,20)
InChIKeyQAIBFGWFRLKSDZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.14
Rot. Bonds4

About N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide

N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide (PubChem CID 83279439) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide
PubChem CID83279439
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide
SMILESCCC1=NS(=O)(=O)c2cc(NC(C)=O)ccc2N1CC1CCCO1
InChIInChI=1S/C16H21N3O4S/c1-3-16-18-24(21,22)15-9-12(17-11(2)20)6-7-14(15)19(16)10-13-5-4-8-23-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,17,20)
InChIKeyQAIBFGWFRLKSDZ-UHFFFAOYSA-N
XLogP2.14
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide with MolForge

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Related Compounds

N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide
CID 71958942
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
CID 134074323
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
3-acetamido-N-[N-(4-ethylphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94090564
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016147
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
The IUPAC name of N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide (CID 83279439) is N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide.
What is the SMILES notation for N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
The canonical SMILES for N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide is CCC1=NS(=O)(=O)c2cc(NC(C)=O)ccc2N1CC1CCCO1.
What is the InChIKey of N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
The InChIKey is QAIBFGWFRLKSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-16-18-24(21,22)15-9-12(17-11(2)20)6-7-14(15)19(16)10-13-5-4-8-23-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide is sourced from PubChem (CID 83279439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).