3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide

C20H20FN3O4S — CID 92893111

IUPAC3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)c1ccccc1
InChIInChI=1S/C20H20FN3O4S/c1-14(15-5-3-2-4-6-15)22-19(25)11-12-20-23-18(24-28-20)13-29(26,27)17-9-7-16(21)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyWIDFIYWTQOIKDV-CQSZACIVSA-N
MW417.46 g/mol
LogP2.99
Rot. Bonds8

About 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide

3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 92893111) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID92893111
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC Name3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)c1ccccc1
InChIInChI=1S/C20H20FN3O4S/c1-14(15-5-3-2-4-6-15)22-19(25)11-12-20-23-18(24-28-20)13-29(26,27)17-9-7-16(21)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyWIDFIYWTQOIKDV-CQSZACIVSA-N
XLogP2.99
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50801287
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30656152
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-(2,6-dimethylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50801332
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46355126
N-(4-ethylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50801231
N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355099
N-(3-chloro-4-methylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355119
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
N-[(4-chlorophenyl)methyl]-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355104
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 100758002
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide (CID 92893111) is 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)c1ccccc1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is WIDFIYWTQOIKDV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-14(15-5-3-2-4-6-15)22-19(25)11-12-20-23-18(24-28-20)13-29(26,27)17-9-7-16(21)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 417.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 92893111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).