N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

C23H26N4O6S2 — CID 16934585

IUPACN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccc(S(C)(=O)=O)c4)CC3)o2)cc1C
InChIInChI=1S/C23H26N4O6S2/c1-15-7-8-18(13-16(15)2)22-25-26-23(33-22)24-21(28)17-9-11-27(12-10-17)35(31,32)20-6-4-5-19(14-20)34(3,29)30/h4-8,13-14,17H,9-12H2,1-3H3,(H,24,26,28)
InChIKeyPUKDQPUOQIMKHH-UHFFFAOYSA-N
MW518.62 g/mol
LogP2.80
Rot. Bonds6

About N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16934585) has the molecular formula C23H26N4O6S2 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16934585
Molecular FormulaC23H26N4O6S2
Molecular Weight518.62 g/mol
Exact Mass518.13
IUPAC NameN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccc(S(C)(=O)=O)c4)CC3)o2)cc1C
InChIInChI=1S/C23H26N4O6S2/c1-15-7-8-18(13-16(15)2)22-25-26-23(33-22)24-21(28)17-9-11-27(12-10-17)35(31,32)20-6-4-5-19(14-20)34(3,29)30/h4-8,13-14,17H,9-12H2,1-3H3,(H,24,26,28)
InChIKeyPUKDQPUOQIMKHH-UHFFFAOYSA-N
XLogP2.80
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16824114
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977768
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977669
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824109
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828353
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
(2R)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40859282
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828561
N-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935229
1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824132

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (CID 16934585) is N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccc(S(C)(=O)=O)c4)CC3)o2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PUKDQPUOQIMKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S2/c1-15-7-8-18(13-16(15)2)22-25-26-23(33-22)24-21(28)17-9-11-27(12-10-17)35(31,32)20-6-4-5-19(14-20)34(3,29)30/h4-8,13-14,17H,9-12H2,1-3H3,(H,24,26,28).
What are the key properties of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16934585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).