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

C24H36N4O4S2 — CID 53078597

IUPACN-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C24H36N4O4S2/c1-16(2)24-26-22(27-32-24)20-15-21(17(3)33-20)34(30,31)28-13-11-18(12-14-28)23(29)25-19-9-7-5-4-6-8-10-19/h15-16,18-19H,4-14H2,1-3H3,(H,25,29)
InChIKeyFDKCSDKXXNKVFR-UHFFFAOYSA-N
MW508.71 g/mol
LogP4.86
Rot. Bonds6

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

N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53078597) has the molecular formula C24H36N4O4S2 and a molecular weight of 508.71 g/mol. Its IUPAC name is N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53078597
Molecular FormulaC24H36N4O4S2
Molecular Weight508.71 g/mol
Exact Mass508.22
IUPAC NameN-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C24H36N4O4S2/c1-16(2)24-26-22(27-32-24)20-15-21(17(3)33-20)34(30,31)28-13-11-18(12-14-28)23(29)25-19-9-7-5-4-6-8-10-19/h15-16,18-19H,4-14H2,1-3H3,(H,25,29)
InChIKeyFDKCSDKXXNKVFR-UHFFFAOYSA-N
XLogP4.86
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.71
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 53042083
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-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53042076
N-(4-chlorophenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042126
(4-methylpiperidin-1-yl)-[1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-4-yl]methanone
CID 53007020
N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042138
N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042140
(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide
CID 93068392
N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042448
N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042473
(3S)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075625

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide (CID 53078597) is N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide is Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1.
What is the InChIKey of N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is FDKCSDKXXNKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4S2/c1-16(2)24-26-22(27-32-24)20-15-21(17(3)33-20)34(30,31)28-13-11-18(12-14-28)23(29)25-19-9-7-5-4-6-8-10-19/h15-16,18-19H,4-14H2,1-3H3,(H,25,29).
What are the key properties of N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 508.71 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53078597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).