4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

C20H23N3O4S — CID 53055857

IUPAC4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-26-17-9-11-18(12-10-17)28(24,25)23(3)14-13-19-21-20(27-22-19)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3
InChIKeyJJJFTZILQCXHIH-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.31
Rot. Bonds8

About 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 53055857) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
PubChem CID53055857
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-26-17-9-11-18(12-10-17)28(24,25)23(3)14-13-19-21-20(27-22-19)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3
InChIKeyJJJFTZILQCXHIH-UHFFFAOYSA-N
XLogP3.31
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055844
2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055845
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
4-methoxy-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 129485750
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
CID 53055635
N-[2-[5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,4-dimethylbenzenesulfonamide
CID 53056107
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
4-bromo-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53004688
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 53055889
N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 53055827

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (CID 53055857) is 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is JJJFTZILQCXHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-26-17-9-11-18(12-10-17)28(24,25)23(3)14-13-19-21-20(27-22-19)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53055857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).