N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide

C18H25N3O3S — CID 53055787

IUPACN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCc1noc(C2CCCCC2)n1
InChIInChI=1S/C18H25N3O3S/c1-14-8-6-7-11-16(14)25(22,23)21(2)13-12-17-19-18(24-20-17)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3
InChIKeyMHVFCSHTIJGGNY-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide (PubChem CID 53055787) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide
PubChem CID53055787
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCc1noc(C2CCCCC2)n1
InChIInChI=1S/C18H25N3O3S/c1-14-8-6-7-11-16(14)25(22,23)21(2)13-12-17-19-18(24-20-17)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3
InChIKeyMHVFCSHTIJGGNY-UHFFFAOYSA-N
XLogP3.29
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide (CID 53055787) is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)CCc1noc(C2CCCCC2)n1.
What is the InChIKey of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is MHVFCSHTIJGGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14-8-6-7-11-16(14)25(22,23)21(2)13-12-17-19-18(24-20-17)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide?
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 53055787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).