N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C20H26N4O5S — CID 16924037

IUPACN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(C3CCCCC3)o2)cc1
InChIInChI=1S/C20H26N4O5S/c1-28-15-9-11-16(12-10-15)30(26,27)24-13-5-8-17(24)18(25)21-20-23-22-19(29-20)14-6-3-2-4-7-14/h9-12,14,17H,2-8,13H2,1H3,(H,21,23,25)
InChIKeySJDGQENAXHLVKJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.92
Rot. Bonds6

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

N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16924037) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16924037
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(C3CCCCC3)o2)cc1
InChIInChI=1S/C20H26N4O5S/c1-28-15-9-11-16(12-10-15)30(26,27)24-13-5-8-17(24)18(25)21-20-23-22-19(29-20)14-6-3-2-4-7-14/h9-12,14,17H,2-8,13H2,1H3,(H,21,23,25)
InChIKeySJDGQENAXHLVKJ-UHFFFAOYSA-N
XLogP2.92
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43976842
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827677
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43972253
(2S)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40858394
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923894
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863030
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571
methyl 4-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304570
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827627
1-(4-chlorophenyl)sulfonyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 43975761

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 16924037) is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(C3CCCCC3)o2)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is SJDGQENAXHLVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-28-15-9-11-16(12-10-15)30(26,27)24-13-5-8-17(24)18(25)21-20-23-22-19(29-20)14-6-3-2-4-7-14/h9-12,14,17H,2-8,13H2,1H3,(H,21,23,25).
What are the key properties of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16924037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).