4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C22H24N4O6S — CID 3239504

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)c1
InChIInChI=1S/C22H24N4O6S/c1-14-12-26(13-15(2)31-14)33(28,29)19-9-7-16(8-10-19)20(27)23-22-25-24-21(32-22)17-5-4-6-18(11-17)30-3/h4-11,14-15H,12-13H2,1-3H3,(H,23,25,27)
InChIKeyFUGATMLBQOERIH-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.80
Rot. Bonds6

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3239504) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3239504
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)c1
InChIInChI=1S/C22H24N4O6S/c1-14-12-26(13-15(2)31-14)33(28,29)19-9-7-16(8-10-19)20(27)23-22-25-24-21(32-22)17-5-4-6-18(11-17)30-3/h4-11,14-15H,12-13H2,1-3H3,(H,23,25,27)
InChIKeyFUGATMLBQOERIH-UHFFFAOYSA-N
XLogP2.80
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5098531
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2435548
4-(N-methyl-N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 18560915
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158907
4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158911
N-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2158917
N-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158919
4-[ethyl-(phenylmethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158923
4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158928
N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158935
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158939
4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158953

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3239504) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)c1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is FUGATMLBQOERIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-14-12-26(13-15(2)31-14)33(28,29)19-9-7-16(8-10-19)20(27)23-22-25-24-21(32-22)17-5-4-6-18(11-17)30-3/h4-11,14-15H,12-13H2,1-3H3,(H,23,25,27).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 472.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3239504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).