N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide

C14H19N3O5S — CID 9103756

IUPACN-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
SMILESCCOCCCNC(=O)CN1NS(=O)(=O)c2ccccc2C1=O
InChIInChI=1S/C14H19N3O5S/c1-2-22-9-5-8-15-13(18)10-17-14(19)11-6-3-4-7-12(11)23(20,21)16-17/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,15,18)
InChIKeyDXXWAXCDAPNVMS-UHFFFAOYSA-N
MW341.39 g/mol
LogP-0.12
Rot. Bonds7

About N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide

N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide (PubChem CID 9103756) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
PubChem CID9103756
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
SMILESCCOCCCNC(=O)CN1NS(=O)(=O)c2ccccc2C1=O
InChIInChI=1S/C14H19N3O5S/c1-2-22-9-5-8-15-13(18)10-17-14(19)11-6-3-4-7-12(11)23(20,21)16-17/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,15,18)
InChIKeyDXXWAXCDAPNVMS-UHFFFAOYSA-N
XLogP-0.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide 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-[2-(3-methylphenoxy)ethyl]-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
CID 75401858
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
N-(3-methoxypropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3153885
N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
CID 75413169
N-(3-butoxypropyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetamide
CID 154750677
N-(3-ethoxypropyl)-2-(2-phenylethylamino)acetamide
CID 3226837
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40781881
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
N-butyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591877
N-(3-ethoxypropyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875840

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide (CID 9103756) is N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide is CCOCCCNC(=O)CN1NS(=O)(=O)c2ccccc2C1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
The InChIKey is DXXWAXCDAPNVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-2-22-9-5-8-15-13(18)10-17-14(19)11-6-3-4-7-12(11)23(20,21)16-17/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,15,18).
What are the key properties of N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide has a molecular weight of 341.39 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide is sourced from PubChem (CID 9103756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).