1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide

C21H30N4O4S2 — CID 50829077

IUPAC1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)C1
InChIInChI=1S/C21H30N4O4S2/c1-4-21(2,3)23-19(26)15-9-6-10-25(12-15)31(27,28)17-11-16(13-30-17)18-22-20(29-24-18)14-7-5-8-14/h11,13-15H,4-10,12H2,1-3H3,(H,23,26)
InChIKeyOHCQDRXKDLOESR-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.77
Rot. Bonds7

About 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 50829077) has the molecular formula C21H30N4O4S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
PubChem CID50829077
Molecular FormulaC21H30N4O4S2
Molecular Weight466.63 g/mol
Exact Mass466.17
IUPAC Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)C1
InChIInChI=1S/C21H30N4O4S2/c1-4-21(2,3)23-19(26)15-9-6-10-25(12-15)31(27,28)17-11-16(13-30-17)18-22-20(29-24-18)14-7-5-8-14/h11,13-15H,4-10,12H2,1-3H3,(H,23,26)
InChIKeyOHCQDRXKDLOESR-UHFFFAOYSA-N
XLogP3.77
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 92896199
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 50829007
(3S)-N-ethyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895949
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896068
N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53114356
(3R)-N-(2-methoxyethyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895946
(3S)-N-(4-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896055
(3R)-N-(2-ethylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895880
(3R)-N-(4-acetylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896034
(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 92896051
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide (CID 50829077) is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide is CCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)C1.
What is the InChIKey of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is OHCQDRXKDLOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S2/c1-4-21(2,3)23-19(26)15-9-6-10-25(12-15)31(27,28)17-11-16(13-30-17)18-22-20(29-24-18)14-7-5-8-14/h11,13-15H,4-10,12H2,1-3H3,(H,23,26).
What are the key properties of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50829077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).