1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide

C24H26N4O4S — CID 50808351

IUPAC1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H26N4O4S/c1-16-7-8-19(22-26-24(32-27-22)18-9-10-18)15-21(16)33(30,31)28-13-11-17(12-14-28)23(29)25-20-5-3-2-4-6-20/h2-8,15,17-18H,9-14H2,1H3,(H,25,29)
InChIKeyXIRVWWYDZDFCHA-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.96
Rot. Bonds6

About 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide

1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 50808351) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID50808351
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H26N4O4S/c1-16-7-8-19(22-26-24(32-27-22)18-9-10-18)15-21(16)33(30,31)28-13-11-17(12-14-28)23(29)25-20-5-3-2-4-6-20/h2-8,15,17-18H,9-14H2,1H3,(H,25,29)
InChIKeyXIRVWWYDZDFCHA-UHFFFAOYSA-N
XLogP3.96
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366050
N-cyclohexyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366049
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365961
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 92726855
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 46365849
N-benzyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366042
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53042184
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365908
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 92715052
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53042984
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46366026
(3S)-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 93074856

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide (CID 50808351) is 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is XIRVWWYDZDFCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16-7-8-19(22-26-24(32-27-22)18-9-10-18)15-21(16)33(30,31)28-13-11-17(12-14-28)23(29)25-20-5-3-2-4-6-20/h2-8,15,17-18H,9-14H2,1H3,(H,25,29).
What are the key properties of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 50808351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).