2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C23H26N4O5S — CID 16598110

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)no1
InChIInChI=1S/C23H26N4O5S/c1-16-6-5-13-27(14-16)33(29,30)19-11-9-18(10-12-19)25-23(28)20-7-3-4-8-21(20)31-15-22-24-17(2)32-26-22/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,25,28)
InChIKeyWPJKJCYKIJDXBF-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.63
Rot. Bonds7

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 16598110) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID16598110
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)no1
InChIInChI=1S/C23H26N4O5S/c1-16-6-5-13-27(14-16)33(29,30)19-11-9-18(10-12-19)25-23(28)20-7-3-4-8-21(20)31-15-22-24-17(2)32-26-22/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,25,28)
InChIKeyWPJKJCYKIJDXBF-UHFFFAOYSA-N
XLogP3.63
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 16591828
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591688
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 43038678
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 41417441
[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119492510
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16594075
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 17311394

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 16598110) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is WPJKJCYKIJDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-16-6-5-13-27(14-16)33(29,30)19-11-9-18(10-12-19)25-23(28)20-7-3-4-8-21(20)31-15-22-24-17(2)32-26-22/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,25,28).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 470.55 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 16598110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).