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

C20H18F2N4O5S — CID 43972253

IUPACN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C20H18F2N4O5S/c1-30-13-5-7-14(8-6-13)32(28,29)26-10-2-3-17(26)18(27)23-20-25-24-19(31-20)15-9-4-12(21)11-16(15)22/h4-9,11,17H,2-3,10H2,1H3,(H,23,25,27)
InChIKeyLTEPEUOILRBBQD-UHFFFAOYSA-N
MW464.45 g/mol
LogP2.82
Rot. Bonds6

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

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43972253) has the molecular formula C20H18F2N4O5S and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43972253
Molecular FormulaC20H18F2N4O5S
Molecular Weight464.45 g/mol
Exact Mass464.10
IUPAC NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C20H18F2N4O5S/c1-30-13-5-7-14(8-6-13)32(28,29)26-10-2-3-17(26)18(27)23-20-25-24-19(31-20)15-9-4-12(21)11-16(15)22/h4-9,11,17H,2-3,10H2,1H3,(H,23,25,27)
InChIKeyLTEPEUOILRBBQD-UHFFFAOYSA-N
XLogP2.82
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923894
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827677
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
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 43975759
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923888
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923933
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924037
1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854859
1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16924089
1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16924047
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43972271

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 43972253) is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LTEPEUOILRBBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O5S/c1-30-13-5-7-14(8-6-13)32(28,29)26-10-2-3-17(26)18(27)23-20-25-24-19(31-20)15-9-4-12(21)11-16(15)22/h4-9,11,17H,2-3,10H2,1H3,(H,23,25,27).
What are the key properties of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43972253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).