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

C17H21FN4O4S — CID 91833132

IUPACN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCc1nc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C17H21FN4O4S/c1-2-16-20-15(21-26-16)9-10-19-17(23)14-4-3-11-22(14)27(24,25)13-7-5-12(18)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyWCGQNAZNWHWSOT-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.28
Rot. Bonds7

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

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 91833132) has the molecular formula C17H21FN4O4S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID91833132
Molecular FormulaC17H21FN4O4S
Molecular Weight396.44 g/mol
Exact Mass396.13
IUPAC NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCc1nc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C17H21FN4O4S/c1-2-16-20-15(21-26-16)9-10-19-17(23)14-4-3-11-22(14)27(24,25)13-7-5-12(18)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyWCGQNAZNWHWSOT-UHFFFAOYSA-N
XLogP1.28
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 43050515
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011
(2S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 26644505
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
(2R)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40896373
1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 17488224
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 49399124
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
1-(benzenesulfonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119509273

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 91833132) is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is CCc1nc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WCGQNAZNWHWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4S/c1-2-16-20-15(21-26-16)9-10-19-17(23)14-4-3-11-22(14)27(24,25)13-7-5-12(18)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,19,23).
What are the key properties of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91833132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).