N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C23H27N5O6S2 — CID 43977669

IUPACN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(S(=O)(=O)N(C)C)cc4)o3)CC2)cc1
InChIInChI=1S/C23H27N5O6S2/c1-16-4-8-20(9-5-16)36(32,33)28-14-12-17(13-15-28)21(29)24-23-26-25-22(34-23)18-6-10-19(11-7-18)35(30,31)27(2)3/h4-11,17H,12-15H2,1-3H3,(H,24,26,29)
InChIKeyUEQHIZGIEVJAMZ-UHFFFAOYSA-N
MW533.63 g/mol
LogP2.33
Rot. Bonds7

About N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 43977669) has the molecular formula C23H27N5O6S2 and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID43977669
Molecular FormulaC23H27N5O6S2
Molecular Weight533.63 g/mol
Exact Mass533.14
IUPAC NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(S(=O)(=O)N(C)C)cc4)o3)CC2)cc1
InChIInChI=1S/C23H27N5O6S2/c1-16-4-8-20(9-5-16)36(32,33)28-14-12-17(13-15-28)21(29)24-23-26-25-22(34-23)18-6-10-19(11-7-18)35(30,31)27(2)3/h4-11,17H,12-15H2,1-3H3,(H,24,26,29)
InChIKeyUEQHIZGIEVJAMZ-UHFFFAOYSA-N
XLogP2.33
TPSA142.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977098
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862940
ethyl 4-[4-[[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43977555
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
CID 43977677
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-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977768
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 43977669) is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(S(=O)(=O)N(C)C)cc4)o3)CC2)cc1.
What is the InChIKey of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UEQHIZGIEVJAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6S2/c1-16-4-8-20(9-5-16)36(32,33)28-14-12-17(13-15-28)21(29)24-23-26-25-22(34-23)18-6-10-19(11-7-18)35(30,31)27(2)3/h4-11,17H,12-15H2,1-3H3,(H,24,26,29).
What are the key properties of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43977669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).