N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

C23H32N4O4S2 — CID 53114356

IUPACN-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1
InChIInChI=1S/C23H32N4O4S2/c28-22(24-19-6-4-2-1-3-5-7-19)16-10-12-27(13-11-16)33(29,30)20-14-18(15-32-20)21-25-23(31-26-21)17-8-9-17/h14-17,19H,1-13H2,(H,24,28)
InChIKeyGRKBVAIABYZOLN-UHFFFAOYSA-N
MW492.67 g/mol
LogP4.31
Rot. Bonds6

About N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53114356) has the molecular formula C23H32N4O4S2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53114356
Molecular FormulaC23H32N4O4S2
Molecular Weight492.67 g/mol
Exact Mass492.19
IUPAC NameN-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1
InChIInChI=1S/C23H32N4O4S2/c28-22(24-19-6-4-2-1-3-5-7-19)16-10-12-27(13-11-16)33(29,30)20-14-18(15-32-20)21-25-23(31-26-21)17-8-9-17/h14-17,19H,1-13H2,(H,24,28)
InChIKeyGRKBVAIABYZOLN-UHFFFAOYSA-N
XLogP4.31
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042931
N-cyclohexyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366049
N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366050
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53043034
N-cyclohexyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53007022
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042098
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53042984
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896068
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53043061
8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 53104815
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53043055

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (CID 53114356) is N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1.
What is the InChIKey of N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is GRKBVAIABYZOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S2/c28-22(24-19-6-4-2-1-3-5-7-19)16-10-12-27(13-11-16)33(29,30)20-14-18(15-32-20)21-25-23(31-26-21)17-8-9-17/h14-17,19H,1-13H2,(H,24,28).
What are the key properties of N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 492.67 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53114356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).