N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C21H21FN4O4S — CID 50835628

IUPACN-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C21H21FN4O4S/c1-14(27)23-18-5-7-19(8-6-18)31(28,29)26-11-9-15(10-12-26)20-24-21(30-25-20)16-3-2-4-17(22)13-16/h2-8,13,15H,9-12H2,1H3,(H,23,27)
InChIKeyOPLOFGWCQNJEBP-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.40
Rot. Bonds5

About N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 50835628) has the molecular formula C21H21FN4O4S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID50835628
Molecular FormulaC21H21FN4O4S
Molecular Weight444.49 g/mol
Exact Mass444.13
IUPAC NameN-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C21H21FN4O4S/c1-14(27)23-18-5-7-19(8-6-18)31(28,29)26-11-9-15(10-12-26)20-24-21(30-25-20)16-3-2-4-17(22)13-16/h2-8,13,15H,9-12H2,1H3,(H,23,27)
InChIKeyOPLOFGWCQNJEBP-UHFFFAOYSA-N
XLogP3.40
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 50835628) is N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1.
What is the InChIKey of N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OPLOFGWCQNJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4S/c1-14(27)23-18-5-7-19(8-6-18)31(28,29)26-11-9-15(10-12-26)20-24-21(30-25-20)16-3-2-4-17(22)13-16/h2-8,13,15H,9-12H2,1H3,(H,23,27).
What are the key properties of N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 50835628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).