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

C24H28N4O5S2 — CID 53042186

IUPAC1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)sc2C)CC1
InChIInChI=1S/C24H28N4O5S2/c1-15-21(14-20(34-15)22-26-24(33-27-22)17-6-5-7-17)35(30,31)28-12-10-16(11-13-28)23(29)25-18-8-3-4-9-19(18)32-2/h3-4,8-9,14,16-17H,5-7,10-13H2,1-2H3,(H,25,29)
InChIKeyASBWTPGXDPCUSF-UHFFFAOYSA-N
MW516.65 g/mol
LogP4.42
Rot. Bonds7

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

1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 53042186) has the molecular formula C24H28N4O5S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID53042186
Molecular FormulaC24H28N4O5S2
Molecular Weight516.65 g/mol
Exact Mass516.15
IUPAC Name1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)sc2C)CC1
InChIInChI=1S/C24H28N4O5S2/c1-15-21(14-20(34-15)22-26-24(33-27-22)17-6-5-7-17)35(30,31)28-12-10-16(11-13-28)23(29)25-18-8-3-4-9-19(18)32-2/h3-4,8-9,14,16-17H,5-7,10-13H2,1-2H3,(H,25,29)
InChIKeyASBWTPGXDPCUSF-UHFFFAOYSA-N
XLogP4.42
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53042184
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53043061
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 53042534
N-(2-methoxy-5-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042033
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042098
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46332088
N-cyclohexyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53007022
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 53042530
N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007082
N-(2,5-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042602
(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93068330

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 53042186) is 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)sc2C)CC1.
What is the InChIKey of 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is ASBWTPGXDPCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S2/c1-15-21(14-20(34-15)22-26-24(33-27-22)17-6-5-7-17)35(30,31)28-12-10-16(11-13-28)23(29)25-18-8-3-4-9-19(18)32-2/h3-4,8-9,14,16-17H,5-7,10-13H2,1-2H3,(H,25,29).
What are the key properties of 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53042186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).