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

C20H18FN3O5S — CID 46355099

IUPACN-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C20H18FN3O5S/c1-13(25)14-2-6-16(7-3-14)22-19(26)10-11-20-23-18(24-29-20)12-30(27,28)17-8-4-15(21)5-9-17/h2-9H,10-12H2,1H3,(H,22,26)
InChIKeyFQXSVKLAKPPJJF-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.96
Rot. Bonds8

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

N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46355099) has the molecular formula C20H18FN3O5S and a molecular weight of 431.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46355099
Molecular FormulaC20H18FN3O5S
Molecular Weight431.45 g/mol
Exact Mass431.10
IUPAC NameN-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C20H18FN3O5S/c1-13(25)14-2-6-16(7-3-14)22-19(26)10-11-20-23-18(24-29-20)12-30(27,28)17-8-4-15(21)5-9-17/h2-9H,10-12H2,1H3,(H,22,26)
InChIKeyFQXSVKLAKPPJJF-UHFFFAOYSA-N
XLogP2.96
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50801231
N-(3-chloro-4-methylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355119
N-(2,6-dimethylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50801332
N-butan-2-yl-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50801287
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 92893111
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 46355112
N-[(4-chlorophenyl)methyl]-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355104
N-(3,4-dimethoxyphenyl)-3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355040
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46355126
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(2-bromophenyl)-3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355041
N-(2-chloro-4-methylphenyl)-3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355066

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 46355099) is N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is CC(=O)c1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FQXSVKLAKPPJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5S/c1-13(25)14-2-6-16(7-3-14)22-19(26)10-11-20-23-18(24-29-20)12-30(27,28)17-8-4-15(21)5-9-17/h2-9H,10-12H2,1H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 431.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46355099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).