1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C23H25ClN4O4S — CID 43974410

IUPAC1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)cc1C
InChIInChI=1S/C23H25ClN4O4S/c1-15-3-4-17(13-16(15)2)14-21-26-27-23(32-21)25-22(29)18-9-11-28(12-10-18)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,18H,9-12,14H2,1-2H3,(H,25,27,29)
InChIKeyGXQAKUKKITUCPY-UHFFFAOYSA-N
MW489.00 g/mol
LogP3.97
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 43974410) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID43974410
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)cc1C
InChIInChI=1S/C23H25ClN4O4S/c1-15-3-4-17(13-16(15)2)14-21-26-27-23(32-21)25-22(29)18-9-11-28(12-10-18)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,18H,9-12,14H2,1-2H3,(H,25,27,29)
InChIKeyGXQAKUKKITUCPY-UHFFFAOYSA-N
XLogP3.97
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43975226
1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973618
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16917803
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974141
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974956
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977098
1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974990
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 43974344
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16824114
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977768

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 43974410) is 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is GXQAKUKKITUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-15-3-4-17(13-16(15)2)14-21-26-27-23(32-21)25-22(29)18-9-11-28(12-10-18)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,18H,9-12,14H2,1-2H3,(H,25,27,29).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43974410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).