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

C23H26N4O5S — CID 99963286

IUPACN-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1NC(C)=O
InChIInChI=1S/C23H26N4O5S/c1-15-4-6-17(7-5-15)22-25-26-23(32-22)18-10-12-27(13-11-18)33(29,30)19-8-9-21(31-3)20(14-19)24-16(2)28/h4-9,14,18H,10-13H2,1-3H3,(H,24,28)
InChIKeyDOHDZRUJARFUHV-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.58
Rot. Bonds6

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

N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 99963286) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID99963286
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1NC(C)=O
InChIInChI=1S/C23H26N4O5S/c1-15-4-6-17(7-5-15)22-25-26-23(32-22)18-10-12-27(13-11-18)33(29,30)19-8-9-21(31-3)20(14-19)24-16(2)28/h4-9,14,18H,10-13H2,1-3H3,(H,24,28)
InChIKeyDOHDZRUJARFUHV-UHFFFAOYSA-N
XLogP3.58
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 99963286) is N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is DOHDZRUJARFUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15-4-6-17(7-5-15)22-25-26-23(32-22)18-10-12-27(13-11-18)33(29,30)19-8-9-21(31-3)20(14-19)24-16(2)28/h4-9,14,18H,10-13H2,1-3H3,(H,24,28).
What are the key properties of N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 99963286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).