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

C20H23N3O5S — CID 53055845

IUPAC2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H23N3O5S/c1-14-5-7-15(8-6-14)20-21-19(22-28-20)11-12-23(2)29(24,25)18-13-16(26-3)9-10-17(18)27-4/h5-10,13H,11-12H2,1-4H3
InChIKeyKRNXDWVRPMLLBS-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.93
Rot. Bonds8

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

2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 53055845) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
PubChem CID53055845
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H23N3O5S/c1-14-5-7-15(8-6-14)20-21-19(22-28-20)11-12-23(2)29(24,25)18-13-16(26-3)9-10-17(18)27-4/h5-10,13H,11-12H2,1-4H3
InChIKeyKRNXDWVRPMLLBS-UHFFFAOYSA-N
XLogP2.93
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055857
5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 53055879
4-methoxy-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 129485750
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790
N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30849548
4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055844
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130631
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 53055889
N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide
CID 53056183
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (CID 53055845) is 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is KRNXDWVRPMLLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-5-7-15(8-6-14)20-21-19(22-28-20)11-12-23(2)29(24,25)18-13-16(26-3)9-10-17(18)27-4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53055845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).