N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C21H22N4O6S — CID 4840854

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nnco3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O6S/c1-15-2-5-17(12-19(15)32(27,28)25-8-10-29-11-9-25)23-20(26)13-30-18-6-3-16(4-7-18)21-24-22-14-31-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyHLMMMHYZLIMZHC-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.08
Rot. Bonds7

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 4840854) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID4840854
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nnco3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O6S/c1-15-2-5-17(12-19(15)32(27,28)25-8-10-29-11-9-25)23-20(26)13-30-18-6-3-16(4-7-18)21-24-22-14-31-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyHLMMMHYZLIMZHC-UHFFFAOYSA-N
XLogP2.08
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7556206
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 2594875
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 3989190
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 4969664
Acetamide, N-(4-(((3,6-dihydro-4-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1(2H)-pyridinyl)amino)sulfonyl)phenyl)-
CID 3074710
[4-(1,3,4-Oxadiazol-2-yl)phenyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2425156
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 4784933
2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8105525
N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide
CID 2561134
N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7556108
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7556110

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 4840854) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(-c3nnco3)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is HLMMMHYZLIMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-15-2-5-17(12-19(15)32(27,28)25-8-10-29-11-9-25)23-20(26)13-30-18-6-3-16(4-7-18)21-24-22-14-31-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 458.50 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 4840854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).