3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

C19H21N3O4S2 — CID 27655967

IUPAC3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C19H21N3O4S2/c1-2-25-16-7-4-3-6-15(16)18-20-19(26-21-18)14-9-11-22(12-10-14)28(23,24)17-8-5-13-27-17/h3-8,13-14H,2,9-12H2,1H3
InChIKeyQJXIIOUOBYRCAN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.77
Rot. Bonds6

About 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 27655967) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID27655967
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C19H21N3O4S2/c1-2-25-16-7-4-3-6-15(16)18-20-19(26-21-18)14-9-11-22(12-10-14)28(23,24)17-8-5-13-27-17/h3-8,13-14H,2,9-12H2,1H3
InChIKeyQJXIIOUOBYRCAN-UHFFFAOYSA-N
XLogP3.77
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
3-(3-methylphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 42585272
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 92751686
3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92875105
3-(3,4-dimethoxyphenyl)-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 30848894
3-(3-methoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 45498956
5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 27543125
3-[(2-methoxyphenyl)methyl]-5-(1-thiophen-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 121097822
1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522211
3-(2-methylphenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 99130325
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380533

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (CID 27655967) is 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is CCOc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is QJXIIOUOBYRCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-2-25-16-7-4-3-6-15(16)18-20-19(26-21-18)14-9-11-22(12-10-14)28(23,24)17-8-5-13-27-17/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 419.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 27655967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).