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

C22H24N4O4S2 — CID 44921553

IUPAC1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CSc4ccccc4)o3)CC2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-16-7-9-19(10-8-16)32(28,29)26-13-11-17(12-14-26)21(27)23-22-25-24-20(30-22)15-31-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,23,25,27)
InChIKeySMFLJIQFDYESLT-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.71
Rot. Bonds7

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

1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 44921553) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID44921553
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CSc4ccccc4)o3)CC2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-16-7-9-19(10-8-16)32(28,29)26-13-11-17(12-14-26)21(27)23-22-25-24-20(30-22)15-31-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,23,25,27)
InChIKeySMFLJIQFDYESLT-UHFFFAOYSA-N
XLogP3.71
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16917803
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43975521
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974141
1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16861405
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16824114
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977669
1-(4-methoxyphenyl)sulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 100654835
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43975226
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977098
1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974410

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 44921553) is 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CSc4ccccc4)o3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is SMFLJIQFDYESLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-16-7-9-19(10-8-16)32(28,29)26-13-11-17(12-14-26)21(27)23-22-25-24-20(30-22)15-31-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,23,25,27).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 44921553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).