3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C22H24N4O4S — CID 17354574

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24N4O4S/c27-20(13-14-21-24-22(25-30-21)17-7-3-1-4-8-17)23-18-9-11-19(12-10-18)31(28,29)26-15-5-2-6-16-26/h1,3-4,7-12H,2,5-6,13-16H2,(H,23,27)
InChIKeyLVQBLFYFPYSRLJ-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.48
Rot. Bonds7

About 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 17354574) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID17354574
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24N4O4S/c27-20(13-14-21-24-22(25-30-21)17-7-3-1-4-8-17)23-18-9-11-19(12-10-18)31(28,29)26-15-5-2-6-16-26/h1,3-4,7-12H,2,5-6,13-16H2,(H,23,27)
InChIKeyLVQBLFYFPYSRLJ-UHFFFAOYSA-N
XLogP3.48
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-3-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825092
N-(4-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049827
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43929124
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24501895
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354560
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135477
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825041
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26369208
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 17354574) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LVQBLFYFPYSRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-20(13-14-21-24-22(25-30-21)17-7-3-1-4-8-17)23-18-9-11-19(12-10-18)31(28,29)26-15-5-2-6-16-26/h1,3-4,7-12H,2,5-6,13-16H2,(H,23,27).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 440.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 17354574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).