N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C21H21FN4O5S — CID 43975759

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H21FN4O5S/c1-2-30-16-9-5-14(6-10-16)20-24-25-21(31-20)23-19(27)18-4-3-13-26(18)32(28,29)17-11-7-15(22)8-12-17/h5-12,18H,2-4,13H2,1H3,(H,23,25,27)
InChIKeyWBKPTOIZQNGHIS-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.07
Rot. Bonds7

About N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43975759) has the molecular formula C21H21FN4O5S and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43975759
Molecular FormulaC21H21FN4O5S
Molecular Weight460.49 g/mol
Exact Mass460.12
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H21FN4O5S/c1-2-30-16-9-5-14(6-10-16)20-24-25-21(31-20)23-19(27)18-4-3-13-26(18)32(28,29)17-11-7-15(22)8-12-17/h5-12,18H,2-4,13H2,1H3,(H,23,25,27)
InChIKeyWBKPTOIZQNGHIS-UHFFFAOYSA-N
XLogP3.07
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 43975761
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923894
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923933
1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854859
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43972253
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43976842
(2S)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40858394
(2R)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40859282
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923888
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43975778
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924085
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide
CID 16924114

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 43975759) is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is CCOc1ccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WBKPTOIZQNGHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O5S/c1-2-30-16-9-5-14(6-10-16)20-24-25-21(31-20)23-19(27)18-4-3-13-26(18)32(28,29)17-11-7-15(22)8-12-17/h5-12,18H,2-4,13H2,1H3,(H,23,25,27).
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).