2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide

C17H23N3O3S — CID 138031807

IUPAC2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
SMILESO=C(CN1c2ccccc2N(C2CCC2)S1(=O)=O)NC1CCCC1
InChIInChI=1S/C17H23N3O3S/c21-17(18-13-6-1-2-7-13)12-19-15-10-3-4-11-16(15)20(24(19,22)23)14-8-5-9-14/h3-4,10-11,13-14H,1-2,5-9,12H2,(H,18,21)
InChIKeyARSGGGHTSQQLQA-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide

2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide (PubChem CID 138031807) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
PubChem CID138031807
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
SMILESO=C(CN1c2ccccc2N(C2CCC2)S1(=O)=O)NC1CCCC1
InChIInChI=1S/C17H23N3O3S/c21-17(18-13-6-1-2-7-13)12-19-15-10-3-4-11-16(15)20(24(19,22)23)14-8-5-9-14/h3-4,10-11,13-14H,1-2,5-9,12H2,(H,18,21)
InChIKeyARSGGGHTSQQLQA-UHFFFAOYSA-N
XLogP2.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]-N-methylacetamide
CID 46879581
N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591837
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
N-(cyclopropylcarbamoyl)-2-[3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
CID 55602728
2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 126854787
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
N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589072
N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
CID 55602625
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide
CID 17200925
N-cycloheptyl-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200810
N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide
CID 126852548

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide (CID 138031807) is 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide is O=C(CN1c2ccccc2N(C2CCC2)S1(=O)=O)NC1CCCC1.
What is the InChIKey of 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide?
The InChIKey is ARSGGGHTSQQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-17(18-13-6-1-2-7-13)12-19-15-10-3-4-11-16(15)20(24(19,22)23)14-8-5-9-14/h3-4,10-11,13-14H,1-2,5-9,12H2,(H,18,21).
What are the key properties of 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide?
2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide has a molecular weight of 349.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 138031807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).