N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

C24H28N4O5S — CID 42767319

IUPACN-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1CCCCC1c1nc(-c2cccc(OC)c2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H28N4O5S/c1-3-27(34(30,31)20-12-5-4-6-13-20)17-22(29)28-15-8-7-14-21(28)24-25-23(26-33-24)18-10-9-11-19(16-18)32-2/h4-6,9-13,16,21H,3,7-8,14-15,17H2,1-2H3
InChIKeyDISSXNYSOMWCJT-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.51
Rot. Bonds8

About N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 42767319) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID42767319
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1CCCCC1c1nc(-c2cccc(OC)c2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H28N4O5S/c1-3-27(34(30,31)20-12-5-4-6-13-20)17-22(29)28-15-8-7-14-21(28)24-25-23(26-33-24)18-10-9-11-19(16-18)32-2/h4-6,9-13,16,21H,3,7-8,14-15,17H2,1-2H3
InChIKeyDISSXNYSOMWCJT-UHFFFAOYSA-N
XLogP3.51
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
(2S)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 7414308
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 3903345
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 5041524
(2R)-2-chloro-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 7249274
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139
(2S)-N-cyclohexyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7364645
(2R)-N-tert-butyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7238978
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 42761005
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
2-(4-chlorophenoxy)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 7360540
N-cyclopentyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039423

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 42767319) is N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(OC)c2)no1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is DISSXNYSOMWCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-3-27(34(30,31)20-12-5-4-6-13-20)17-22(29)28-15-8-7-14-21(28)24-25-23(26-33-24)18-10-9-11-19(16-18)32-2/h4-6,9-13,16,21H,3,7-8,14-15,17H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 484.58 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 42767319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).