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

C21H22N4O5S — CID 53075358

IUPACN-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C21H22N4O5S/c1-15(26)22-18-6-2-16(3-7-18)14-20-23-21(24-30-20)17-4-8-19(9-5-17)31(27,28)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyFETQZQGTNCPGBT-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.31
Rot. Bonds6

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

N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (PubChem CID 53075358) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
PubChem CID53075358
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C21H22N4O5S/c1-15(26)22-18-6-2-16(3-7-18)14-20-23-21(24-30-20)17-4-8-19(9-5-17)31(27,28)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyFETQZQGTNCPGBT-UHFFFAOYSA-N
XLogP2.31
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27862054
4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075377
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 50825186
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680327
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933308
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 38139961
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825041
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43973183

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (CID 53075358) is N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1.
What is the InChIKey of N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The InChIKey is FETQZQGTNCPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-15(26)22-18-6-2-16(3-7-18)14-20-23-21(24-30-20)17-4-8-19(9-5-17)31(27,28)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 53075358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).