3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide

C23H26FN5O4S — CID 142211280

IUPAC3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3noc(C4CCCNC4)n3)c2)cc1
InChIInChI=1S/C23H26FN5O4S/c1-15(13-24)22(30)26-18-7-9-19(10-8-18)29-34(31,32)20-6-2-4-16(12-20)21-27-23(33-28-21)17-5-3-11-25-14-17/h2,4,6-10,12,15,17,25,29H,3,5,11,13-14H2,1H3,(H,26,30)
InChIKeyXINCLWLWRODWDF-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.55
Rot. Bonds8

About 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide

3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 142211280) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
PubChem CID142211280
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3noc(C4CCCNC4)n3)c2)cc1
InChIInChI=1S/C23H26FN5O4S/c1-15(13-24)22(30)26-18-7-9-19(10-8-18)29-34(31,32)20-6-2-4-16(12-20)21-27-23(33-28-21)17-5-3-11-25-14-17/h2,4,6-10,12,15,17,25,29H,3,5,11,13-14H2,1H3,(H,26,30)
InChIKeyXINCLWLWRODWDF-UHFFFAOYSA-N
XLogP3.55
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
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CID 58714490
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
CID 50778913
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777719

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide (CID 142211280) is 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide is CC(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3noc(C4CCCNC4)n3)c2)cc1.
What is the InChIKey of 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is XINCLWLWRODWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-15(13-24)22(30)26-18-7-9-19(10-8-18)29-34(31,32)20-6-2-4-16(12-20)21-27-23(33-28-21)17-5-3-11-25-14-17/h2,4,6-10,12,15,17,25,29H,3,5,11,13-14H2,1H3,(H,26,30).
What are the key properties of 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 487.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 142211280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).