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

C22H32N4O4S2 — CID 92896068

IUPAC(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c2)no1
InChIInChI=1S/C22H32N4O4S2/c1-2-19-24-21(25-30-19)17-13-20(31-15-17)32(28,29)26-12-8-9-16(14-26)22(27)23-18-10-6-4-3-5-7-11-18/h13,15-16,18H,2-12,14H2,1H3,(H,23,27)/t16-/m1/s1
InChIKeyZPVJDBYTFSMALB-MRXNPFEDSA-N
MW480.66 g/mol
LogP3.99
Rot. Bonds6

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

(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 92896068) has the molecular formula C22H32N4O4S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID92896068
Molecular FormulaC22H32N4O4S2
Molecular Weight480.66 g/mol
Exact Mass480.19
IUPAC Name(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c2)no1
InChIInChI=1S/C22H32N4O4S2/c1-2-19-24-21(25-30-19)17-13-20(31-15-17)32(28,29)26-12-8-9-16(14-26)22(27)23-18-10-6-4-3-5-7-11-18/h13,15-16,18H,2-12,14H2,1H3,(H,23,27)/t16-/m1/s1
InChIKeyZPVJDBYTFSMALB-MRXNPFEDSA-N
XLogP3.99
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
(3S)-N-(4-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896055
(3R)-N-(4-acetylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896034
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092
(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 92896051
(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896162
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 92896136
N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50829087
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50829130
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896176
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 50829076
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92896170

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (CID 92896068) is (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c2)no1.
What is the InChIKey of (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is ZPVJDBYTFSMALB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H32N4O4S2/c1-2-19-24-21(25-30-19)17-13-20(31-15-17)32(28,29)26-12-8-9-16(14-26)22(27)23-18-10-6-4-3-5-7-11-18/h13,15-16,18H,2-12,14H2,1H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92896068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).