N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C25H30N4O6S — CID 68685654

IUPACN-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C25H30N4O6S/c1-28(16-17-33-2)36(31,32)21-13-11-19(12-14-21)24-26-25(35-27-24)22-10-6-7-15-29(22)23(30)18-34-20-8-4-3-5-9-20/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3/t22-/m1/s1
InChIKeyCWXPRYHYFHTCPU-JOCHJYFZSA-N
MW514.60 g/mol
LogP3.14
Rot. Bonds10

About N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 68685654) has the molecular formula C25H30N4O6S and a molecular weight of 514.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID68685654
Molecular FormulaC25H30N4O6S
Molecular Weight514.60 g/mol
Exact Mass514.19
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C25H30N4O6S/c1-28(16-17-33-2)36(31,32)21-13-11-19(12-14-21)24-26-25(35-27-24)22-10-6-7-15-29(22)23(30)18-34-20-8-4-3-5-9-20/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3/t22-/m1/s1
InChIKeyCWXPRYHYFHTCPU-JOCHJYFZSA-N
XLogP3.14
TPSA115.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686960
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;2-phenoxy-1-[(2R)-2-[3-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 159896400
4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 42766100
1-[2-[3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689193
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
CID 3558850
N-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68691121
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686400
N-[2-fluoro-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686403

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 68685654) is N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is CWXPRYHYFHTCPU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N4O6S/c1-28(16-17-33-2)36(31,32)21-13-11-19(12-14-21)24-26-25(35-27-24)22-10-6-7-15-29(22)23(30)18-34-20-8-4-3-5-9-20/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3/t22-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 514.60 g/mol, XLogP of 3.14, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 68685654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).