1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C21H28N4O5S — CID 92893434

IUPAC1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)c2)no1
InChIInChI=1S/C21H28N4O5S/c1-2-19-23-20(24-30-19)16-5-3-7-18(13-16)31(27,28)25-10-8-15(9-11-25)21(26)22-14-17-6-4-12-29-17/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyAZYLGHSBXIAZOD-QGZVFWFLSA-N
MW448.55 g/mol
LogP1.99
Rot. Bonds7

About 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 92893434) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID92893434
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC Name1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)c2)no1
InChIInChI=1S/C21H28N4O5S/c1-2-19-23-20(24-30-19)16-5-3-7-18(13-16)31(27,28)25-10-8-15(9-11-25)21(26)22-14-17-6-4-12-29-17/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyAZYLGHSBXIAZOD-QGZVFWFLSA-N
XLogP1.99
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53042063
N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642629
N-benzyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366042
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46366026
1-(4-methylsulfanylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 7445179
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 46365849
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92802453
(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667299
N-[[(2S)-oxolan-2-yl]methyl]-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 95085367
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 92893434) is 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)c2)no1.
What is the InChIKey of 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is AZYLGHSBXIAZOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-2-19-23-20(24-30-19)16-5-3-7-18(13-16)31(27,28)25-10-8-15(9-11-25)21(26)22-14-17-6-4-12-29-17/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92893434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).