N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H24N4O5S — CID 4084512

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)cc1
InChIInChI=1S/C22H24N4O5S/c1-15-11-13-26(14-12-15)32(28,29)19-9-5-16(6-10-19)20(27)23-22-25-24-21(31-22)17-3-7-18(30-2)8-4-17/h3-10,15H,11-14H2,1-2H3,(H,23,25,27)
InChIKeyWLDGSKPJBRZRRL-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.42
Rot. Bonds6

About N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4084512) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4084512
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)cc1
InChIInChI=1S/C22H24N4O5S/c1-15-11-13-26(14-12-15)32(28,29)19-9-5-16(6-10-19)20(27)23-22-25-24-21(31-22)17-3-7-18(30-2)8-4-17/h3-10,15H,11-14H2,1-2H3,(H,23,25,27)
InChIKeyWLDGSKPJBRZRRL-UHFFFAOYSA-N
XLogP3.42
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 4084512) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is WLDGSKPJBRZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-15-11-13-26(14-12-15)32(28,29)19-9-5-16(6-10-19)20(27)23-22-25-24-21(31-22)17-3-7-18(30-2)8-4-17/h3-10,15H,11-14H2,1-2H3,(H,23,25,27).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 456.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4084512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).