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

C19H27N3O3S — CID 53055789

IUPACN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C19H27N3O3S/c1-14-9-10-15(2)17(13-14)26(23,24)22(3)12-11-18-20-19(25-21-18)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3
InChIKeyRBHLDGGXSGPOOF-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.60
Rot. Bonds6

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

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide (PubChem CID 53055789) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide
PubChem CID53055789
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C19H27N3O3S/c1-14-9-10-15(2)17(13-14)26(23,24)22(3)12-11-18-20-19(25-21-18)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3
InChIKeyRBHLDGGXSGPOOF-UHFFFAOYSA-N
XLogP3.60
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide
CID 53055787
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
N,2,5-trimethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056053
4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055844
N-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2,5-trimethylbenzenesulfonamide
CID 53004680
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(dimethylsulfamoyl)-N-methylethanamine
CID 136531431
4-cyclohexyl-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055927
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130161
3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
CID 53055086
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide (CID 53055789) is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(C3CCCCC3)n2)c1.
What is the InChIKey of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is RBHLDGGXSGPOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-14-9-10-15(2)17(13-14)26(23,24)22(3)12-11-18-20-19(25-21-18)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3.
What are the key properties of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide?
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.60, 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,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 53055789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).