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

C20H21N5O4S — CID 4620689

IUPACN-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)cc1
InChIInChI=1S/C20H21N5O4S/c1-14(26)22-17-4-6-18(7-5-17)30(27,28)25-11-8-15(9-12-25)20-23-19(24-29-20)16-3-2-10-21-13-16/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,26)
InChIKeySYPUWBLFDLFQCC-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.66
Rot. Bonds5

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

N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 4620689) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID4620689
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)cc1
InChIInChI=1S/C20H21N5O4S/c1-14(26)22-17-4-6-18(7-5-17)30(27,28)25-11-8-15(9-12-25)20-23-19(24-29-20)16-3-2-10-21-13-16/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,26)
InChIKeySYPUWBLFDLFQCC-UHFFFAOYSA-N
XLogP2.66
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 4620689) is N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is SYPUWBLFDLFQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-14(26)22-17-4-6-18(7-5-17)30(27,28)25-11-8-15(9-12-25)20-23-19(24-29-20)16-3-2-10-21-13-16/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,26).
What are the key properties of N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 4620689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).