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

C22H24N4O7S2 — CID 16828353

IUPACN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4S(C)(=O)=O)CC3)o2)c1
InChIInChI=1S/C22H24N4O7S2/c1-32-17-7-5-6-16(14-17)21-24-25-22(33-21)23-20(27)15-10-12-26(13-11-15)35(30,31)19-9-4-3-8-18(19)34(2,28)29/h3-9,14-15H,10-13H2,1-2H3,(H,23,25,27)
InChIKeyXQLRSMFHVZTULO-UHFFFAOYSA-N
MW520.59 g/mol
LogP2.19
Rot. Bonds7

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

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16828353) has the molecular formula C22H24N4O7S2 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16828353
Molecular FormulaC22H24N4O7S2
Molecular Weight520.59 g/mol
Exact Mass520.11
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4S(C)(=O)=O)CC3)o2)c1
InChIInChI=1S/C22H24N4O7S2/c1-32-17-7-5-6-16(14-17)21-24-25-22(33-21)23-20(27)15-10-12-26(13-11-15)35(30,31)19-9-4-3-8-18(19)34(2,28)29/h3-9,14-15H,10-13H2,1-2H3,(H,23,25,27)
InChIKeyXQLRSMFHVZTULO-UHFFFAOYSA-N
XLogP2.19
TPSA148.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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]-2-methylsulfonylbenzamide
CID 43981074
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16934585
1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824132
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831892
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 40957878
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977768
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43976795
N-(6-methyl-2-pyridinyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935097
1-(benzenesulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861734
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (CID 16828353) is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is COc1cccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4S(C)(=O)=O)CC3)o2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XQLRSMFHVZTULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S2/c1-32-17-7-5-6-16(14-17)21-24-25-22(33-21)23-20(27)15-10-12-26(13-11-15)35(30,31)19-9-4-3-8-18(19)34(2,28)29/h3-9,14-15H,10-13H2,1-2H3,(H,23,25,27).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16828353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).