4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide

C17H19N3O4S — CID 46355362

IUPAC4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C17H19N3O4S/c1-24-11-10-18-17(21)13-8-6-12(7-9-13)16-19-14-4-2-3-5-15(14)25(22,23)20-16/h2-9,16,19-20H,10-11H2,1H3,(H,18,21)
InChIKeySWFNCHPYCIDTQS-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.47
Rot. Bonds5

About 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide

4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide (PubChem CID 46355362) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide
PubChem CID46355362
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C17H19N3O4S/c1-24-11-10-18-17(21)13-8-6-12(7-9-13)16-19-14-4-2-3-5-15(14)25(22,23)20-16/h2-9,16,19-20H,10-11H2,1H3,(H,18,21)
InChIKeySWFNCHPYCIDTQS-UHFFFAOYSA-N
XLogP1.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide 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

N-(4-bromophenyl)-4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]benzamide
CID 27567853
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655
4-(1,3-dithiolan-2-yl)-N-(2-methoxyethyl)benzamide
CID 18161968
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(2-methoxyethyl)-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163515
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
CID 70934716
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide (CID 46355362) is 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1.
What is the InChIKey of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide?
The InChIKey is SWFNCHPYCIDTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-11-10-18-17(21)13-8-6-12(7-9-13)16-19-14-4-2-3-5-15(14)25(22,23)20-16/h2-9,16,19-20H,10-11H2,1H3,(H,18,21).
What are the key properties of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide?
4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46355362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).