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

C22H24N4O6S — CID 43038678

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1
InChIInChI=1S/C22H24N4O6S/c1-15-7-8-17(33(28,29)26-9-11-30-12-10-26)13-19(15)24-22(27)18-5-3-4-6-20(18)31-14-21-23-16(2)32-25-21/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyWVMLSAGARDIMLY-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.54
Rot. Bonds7

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

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 43038678) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID43038678
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1
InChIInChI=1S/C22H24N4O6S/c1-15-7-8-17(33(28,29)26-9-11-30-12-10-26)13-19(15)24-22(27)18-5-3-4-6-20(18)31-14-21-23-16(2)32-25-21/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyWVMLSAGARDIMLY-UHFFFAOYSA-N
XLogP2.54
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591688
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55432805
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 16598110
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 55380831
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
CID 55466253
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 55600474
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 43038678) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is WVMLSAGARDIMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-15-7-8-17(33(28,29)26-9-11-30-12-10-26)13-19(15)24-22(27)18-5-3-4-6-20(18)31-14-21-23-16(2)32-25-21/h3-8,13H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 472.52 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 43038678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).