3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

C26H32N4O5S — CID 100520339

IUPAC3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C26H32N4O5S/c1-19-8-7-9-21(16-19)26-27-24(35-28-26)18-29(2)25(31)13-10-20-17-22(11-12-23(20)34-3)36(32,33)30-14-5-4-6-15-30/h7-9,11-12,16-17H,4-6,10,13-15,18H2,1-3H3
InChIKeyPIADZJNUGAGVBP-UHFFFAOYSA-N
MW512.63 g/mol
LogP3.82
Rot. Bonds9

About 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 100520339) has the molecular formula C26H32N4O5S and a molecular weight of 512.63 g/mol. Its IUPAC name is 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID100520339
Molecular FormulaC26H32N4O5S
Molecular Weight512.63 g/mol
Exact Mass512.21
IUPAC Name3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C26H32N4O5S/c1-19-8-7-9-21(16-19)26-27-24(35-28-26)18-29(2)25(31)13-10-20-17-22(11-12-23(20)34-3)36(32,33)30-14-5-4-6-15-30/h7-9,11-12,16-17H,4-6,10,13-15,18H2,1-3H3
InChIKeyPIADZJNUGAGVBP-UHFFFAOYSA-N
XLogP3.82
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657768
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100548682
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
3-(2,6-dichlorophenyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604591
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 100647219
1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 100654197
3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46982575
5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
(3R)-1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100662947
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 100706699
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 100520339) is 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is PIADZJNUGAGVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5S/c1-19-8-7-9-21(16-19)26-27-24(35-28-26)18-29(2)25(31)13-10-20-17-22(11-12-23(20)34-3)36(32,33)30-14-5-4-6-15-30/h7-9,11-12,16-17H,4-6,10,13-15,18H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 512.63 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 100520339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).