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

C22H23FN4O4S2 — CID 53043034

IUPAC1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1
InChIInChI=1S/C22H23FN4O4S2/c23-17-5-2-6-18(12-17)24-21(28)14-7-9-27(10-8-14)33(29,30)19-11-16(13-32-19)20-25-22(31-26-20)15-3-1-4-15/h2,5-6,11-15H,1,3-4,7-10H2,(H,24,28)
InChIKeyZFXVQMDSVUFEMC-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.24
Rot. Bonds6

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

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 53043034) has the molecular formula C22H23FN4O4S2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID53043034
Molecular FormulaC22H23FN4O4S2
Molecular Weight490.58 g/mol
Exact Mass490.11
IUPAC Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1
InChIInChI=1S/C22H23FN4O4S2/c23-17-5-2-6-18(12-17)24-21(28)14-7-9-27(10-8-14)33(29,30)19-11-16(13-32-19)20-25-22(31-26-20)15-3-1-4-15/h2,5-6,11-15H,1,3-4,7-10H2,(H,24,28)
InChIKeyZFXVQMDSVUFEMC-UHFFFAOYSA-N
XLogP4.24
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 50829007
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53042984
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53043061
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53042904
N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53114356
(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-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53043055
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 53042530
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 53104824
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71843413
(3S)-N-(3-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895855

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 53043034) is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1.
What is the InChIKey of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is ZFXVQMDSVUFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S2/c23-17-5-2-6-18(12-17)24-21(28)14-7-9-27(10-8-14)33(29,30)19-11-16(13-32-19)20-25-22(31-26-20)15-3-1-4-15/h2,5-6,11-15H,1,3-4,7-10H2,(H,24,28).
What are the key properties of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 4.24, 6 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-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53043034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).