1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C21H22N4O4S2 — CID 43977851

IUPAC1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESCSc1ccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-30-17-11-9-15(10-12-17)20-23-24-21(29-20)22-19(26)16-6-5-13-25(14-16)31(27,28)18-7-3-2-4-8-18/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,24,26)
InChIKeyOPWGKASHPFNWFI-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.50
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 43977851) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
PubChem CID43977851
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC Name1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESCSc1ccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-30-17-11-9-15(10-12-17)20-23-24-21(29-20)22-19(26)16-6-5-13-25(14-16)31(27,28)18-7-3-2-4-8-18/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,24,26)
InChIKeyOPWGKASHPFNWFI-UHFFFAOYSA-N
XLogP3.50
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861734
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxamide
CID 16861746
1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43976575
1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16828917
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862940
1-(benzenesulfonyl)-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861667
(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51696146
1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16862956
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851
1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861713

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 43977851) is 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is CSc1ccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is OPWGKASHPFNWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-30-17-11-9-15(10-12-17)20-23-24-21(29-20)22-19(26)16-6-5-13-25(14-16)31(27,28)18-7-3-2-4-8-18/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 43977851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).