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

C22H24N4O4S — CID 50835650

IUPACN-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-3-5-18(6-4-15)22-24-21(25-30-22)17-11-13-26(14-12-17)31(28,29)20-9-7-19(8-10-20)23-16(2)27/h3-10,17H,11-14H2,1-2H3,(H,23,27)
InChIKeyWFPTXJWUQYHTMF-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.57
Rot. Bonds5

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

N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 50835650) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID50835650
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-3-5-18(6-4-15)22-24-21(25-30-22)17-11-13-26(14-12-17)31(28,29)20-9-7-19(8-10-20)23-16(2)27/h3-10,17H,11-14H2,1-2H3,(H,23,27)
InChIKeyWFPTXJWUQYHTMF-UHFFFAOYSA-N
XLogP3.57
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.57
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-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 50835650) is N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1.
What is the InChIKey of N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is WFPTXJWUQYHTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-3-5-18(6-4-15)22-24-21(25-30-22)17-11-13-26(14-12-17)31(28,29)20-9-7-19(8-10-20)23-16(2)27/h3-10,17H,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 3.57, 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-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 50835650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).