(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

C17H22N4O6S2 — CID 51696146

IUPAC(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C17H22N4O6S2/c1-3-29(25,26)14-8-6-12(7-9-14)16-19-20-17(27-16)18-15(22)13-5-4-10-21(11-13)28(2,23)24/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,20,22)/t13-/m1/s1
InChIKeyWSNCXOAOPHUECH-CYBMUJFWSA-N
MW442.52 g/mol
LogP1.14
Rot. Bonds6

About (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 51696146) has the molecular formula C17H22N4O6S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID51696146
Molecular FormulaC17H22N4O6S2
Molecular Weight442.52 g/mol
Exact Mass442.10
IUPAC Name(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C17H22N4O6S2/c1-3-29(25,26)14-8-6-12(7-9-14)16-19-20-17(27-16)18-15(22)13-5-4-10-21(11-13)28(2,23)24/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,20,22)/t13-/m1/s1
InChIKeyWSNCXOAOPHUECH-CYBMUJFWSA-N
XLogP1.14
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43975778
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxamide
CID 16861746
1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977851
1-(benzenesulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861734
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43972271
(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51695962
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858
1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973630
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862940
1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16862956
1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43976575

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 51696146) is (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)o2)cc1.
What is the InChIKey of (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is WSNCXOAOPHUECH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O6S2/c1-3-29(25,26)14-8-6-12(7-9-14)16-19-20-17(27-16)18-15(22)13-5-4-10-21(11-13)28(2,23)24/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,20,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51696146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).