2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide

C16H20N4O4S — CID 120861550

IUPAC2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C16H20N4O4S/c1-20(2)13(21)10-25(22,23)12-6-4-11(5-7-12)14-18-15(19-24-14)16(17)8-3-9-16/h4-7H,3,8-10,17H2,1-2H3
InChIKeySDJCSEOYDDKOLM-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.94
Rot. Bonds5

About 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide

2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide (PubChem CID 120861550) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide
PubChem CID120861550
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C16H20N4O4S/c1-20(2)13(21)10-25(22,23)12-6-4-11(5-7-12)14-18-15(19-24-14)16(17)8-3-9-16/h4-7H,3,8-10,17H2,1-2H3
InChIKeySDJCSEOYDDKOLM-UHFFFAOYSA-N
XLogP0.94
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide with MolForge

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Related Compounds

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 120855132
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120855787
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 120863292
1-[5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861740
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120859234
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide
CID 120851063
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120850900

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide (CID 120861550) is 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)cc1.
What is the InChIKey of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide?
The InChIKey is SDJCSEOYDDKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-20(2)13(21)10-25(22,23)12-6-4-11(5-7-12)14-18-15(19-24-14)16(17)8-3-9-16/h4-7H,3,8-10,17H2,1-2H3.
What are the key properties of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide?
2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide has a molecular weight of 364.43 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 120861550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).