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

C25H28N4O4S — CID 43889564

IUPAC1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H28N4O4S/c1-3-15-28(18-23-26-24(27-33-23)20-8-5-4-6-9-20)25(30)21-10-7-16-29(17-21)34(31,32)22-13-11-19(2)12-14-22/h3-6,8-9,11-14,21H,1,7,10,15-18H2,2H3
InChIKeyXUXCYCRFRCSPLW-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.66
Rot. Bonds8

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

1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 43889564) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID43889564
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H28N4O4S/c1-3-15-28(18-23-26-24(27-33-23)20-8-5-4-6-9-20)25(30)21-10-7-16-29(17-21)34(31,32)22-13-11-19(2)12-14-22/h3-6,8-9,11-14,21H,1,7,10,15-18H2,2H3
InChIKeyXUXCYCRFRCSPLW-UHFFFAOYSA-N
XLogP3.66
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889559
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
(3S)-1-(benzenesulfonyl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100663207
(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 30154047
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889643
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129421156
(3R)-1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100662947
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30153369
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 133189387
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide (CID 43889564) is 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide is C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is XUXCYCRFRCSPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-3-15-28(18-23-26-24(27-33-23)20-8-5-4-6-9-20)25(30)21-10-7-16-29(17-21)34(31,32)22-13-11-19(2)12-14-22/h3-6,8-9,11-14,21H,1,7,10,15-18H2,2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 43889564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).