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

C23H25ClN4O4S — CID 46365933

IUPAC1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C23H25ClN4O4S/c1-14-4-7-20(15(2)12-14)26-23(29)17-8-10-28(11-9-17)33(30,31)21-13-18(5-6-19(21)24)22-25-16(3)32-27-22/h4-7,12-13,17H,8-11H2,1-3H3,(H,26,29)
InChIKeyNUNBCOKKKFZFGO-UHFFFAOYSA-N
MW489.00 g/mol
LogP4.35
Rot. Bonds5

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

1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 46365933) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
PubChem CID46365933
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C23H25ClN4O4S/c1-14-4-7-20(15(2)12-14)26-23(29)17-8-10-28(11-9-17)33(30,31)21-13-18(5-6-19(21)24)22-25-16(3)32-27-22/h4-7,12-13,17H,8-11H2,1-3H3,(H,26,29)
InChIKeyNUNBCOKKKFZFGO-UHFFFAOYSA-N
XLogP4.35
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365908
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 92731250
N-(2,5-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042602
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92731232
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-cyclopentylpiperidine-3-carboxamide
CID 92731225
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 92726834
(3S)-N-(2-chloro-4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 92726854
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 46288566
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365961
N-(2,4-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042061
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46366060
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92746169

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide (CID 46365933) is 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)CC2)c(C)c1.
What is the InChIKey of 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is NUNBCOKKKFZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-14-4-7-20(15(2)12-14)26-23(29)17-8-10-28(11-9-17)33(30,31)21-13-18(5-6-19(21)24)22-25-16(3)32-27-22/h4-7,12-13,17H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46365933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).