N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide

C14H17N3O3S — CID 22589072

IUPACN-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESO=C(CN1C=NS(=O)(=O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C14H17N3O3S/c18-14(16-11-5-1-2-6-11)9-17-10-15-21(19,20)13-8-4-3-7-12(13)17/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,18)
InChIKeyOVHACUFDLXUHDU-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.28
Rot. Bonds3

About N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide

N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide (PubChem CID 22589072) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
PubChem CID22589072
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC NameN-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESO=C(CN1C=NS(=O)(=O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C14H17N3O3S/c18-14(16-11-5-1-2-6-11)9-17-10-15-21(19,20)13-8-4-3-7-12(13)17/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,18)
InChIKeyOVHACUFDLXUHDU-UHFFFAOYSA-N
XLogP1.28
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 22589161
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide
CID 8669477
N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591837
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 6626159
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589157
2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
CID 138031807
N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 22589374
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone
CID 107342739
N-cycloheptyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
CID 2446124
N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591725
6-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)hexanehydrazide
CID 107342889

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide (CID 22589072) is N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide is O=C(CN1C=NS(=O)(=O)c2ccccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The InChIKey is OVHACUFDLXUHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-14(16-11-5-1-2-6-11)9-17-10-15-21(19,20)13-8-4-3-7-12(13)17/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,18).
What are the key properties of N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide has a molecular weight of 307.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide is sourced from PubChem (CID 22589072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).