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

C21H22N4O4S — CID 46365849

IUPAC1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2)no1
InChIInChI=1S/C21H22N4O4S/c1-15-22-20(24-29-15)17-6-5-9-19(14-17)30(27,28)25-12-10-16(11-13-25)21(26)23-18-7-3-2-4-8-18/h2-9,14,16H,10-13H2,1H3,(H,23,26)
InChIKeyKIWLQXQCPXBONH-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.08
Rot. Bonds5

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

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 46365849) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID46365849
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2)no1
InChIInChI=1S/C21H22N4O4S/c1-15-22-20(24-29-15)17-6-5-9-19(14-17)30(27,28)25-12-10-16(11-13-25)21(26)23-18-7-3-2-4-8-18/h2-9,14,16H,10-13H2,1H3,(H,23,26)
InChIKeyKIWLQXQCPXBONH-UHFFFAOYSA-N
XLogP3.08
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46365813
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46365853
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365961
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 50808351
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 92726855
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365908
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
N-(3-chlorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042600
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 38139961
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide (CID 46365849) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide is Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2)no1.
What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is KIWLQXQCPXBONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15-22-20(24-29-15)17-6-5-9-19(14-17)30(27,28)25-12-10-16(11-13-25)21(26)23-18-7-3-2-4-8-18/h2-9,14,16H,10-13H2,1H3,(H,23,26).
What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide?
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 46365849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).