N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C17H24N4O4S2 — CID 50946254

IUPACN-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C17H24N4O4S2/c1-3-20(12-15-18-16(19-25-15)14-8-6-10-26-14)17(22)13-7-5-9-21(11-13)27(23,24)4-2/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3
InChIKeyQIYISZJBJVEPHI-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.21
Rot. Bonds7

About N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 50946254) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID50946254
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC NameN-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C17H24N4O4S2/c1-3-20(12-15-18-16(19-25-15)14-8-6-10-26-14)17(22)13-7-5-9-21(11-13)27(23,24)4-2/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3
InChIKeyQIYISZJBJVEPHI-UHFFFAOYSA-N
XLogP2.21
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 95119116
(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 30154047
N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889643
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50945072
N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50946857
(4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 52907841
(4-methylsulfonylpiperazin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 52993062
ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934901
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935314
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 50946254) is N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCCN(S(=O)(=O)CC)C1.
What is the InChIKey of N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is QIYISZJBJVEPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-3-20(12-15-18-16(19-25-15)14-8-6-10-26-14)17(22)13-7-5-9-21(11-13)27(23,24)4-2/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 50946254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).