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

C21H20Cl2N4O4S — CID 43977098

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1
InChIInChI=1S/C21H20Cl2N4O4S/c1-13-2-5-16(6-3-13)32(29,30)27-10-8-14(9-11-27)19(28)24-21-26-25-20(31-21)17-7-4-15(22)12-18(17)23/h2-7,12,14H,8-11H2,1H3,(H,24,26,28)
InChIKeyVKOVWCYFIPTMPI-UHFFFAOYSA-N
MW495.39 g/mol
LogP4.39
Rot. Bonds5

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

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 43977098) has the molecular formula C21H20Cl2N4O4S and a molecular weight of 495.39 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID43977098
Molecular FormulaC21H20Cl2N4O4S
Molecular Weight495.39 g/mol
Exact Mass494.06
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1
InChIInChI=1S/C21H20Cl2N4O4S/c1-13-2-5-16(6-3-13)32(29,30)27-10-8-14(9-11-27)19(28)24-21-26-25-20(31-21)17-7-4-15(22)12-18(17)23/h2-7,12,14H,8-11H2,1H3,(H,24,26,28)
InChIKeyVKOVWCYFIPTMPI-UHFFFAOYSA-N
XLogP4.39
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977669
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862940
1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16861405
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 41100117
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977768
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 43972779
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824109
1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16924089
1-(benzenesulfonyl)-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861667
1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974410
1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 40956969

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 43977098) is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is VKOVWCYFIPTMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O4S/c1-13-2-5-16(6-3-13)32(29,30)27-10-8-14(9-11-27)19(28)24-21-26-25-20(31-21)17-7-4-15(22)12-18(17)23/h2-7,12,14H,8-11H2,1H3,(H,24,26,28).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 495.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43977098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).