N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C16H23FN2O3S — CID 51240604

IUPACN-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-2-12-23(21,22)19-11-3-4-15(19)16(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyQJDMARWIUISHEY-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.69
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51240604) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID51240604
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-2-12-23(21,22)19-11-3-4-15(19)16(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyQJDMARWIUISHEY-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Hydroxy-1-[(2-Phenylethyl)sulfonyl]-D-Prolinamide
CID 57339412
(2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl]phenyl}ethyl]-2-acetamido-3-phenylpropanamide
CID 9547915
(2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl)phenyl]ethyl]-2-acetamido-3-phenylpropanamide
CID 23646520
(S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10768464
N~1~-butyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2236744
N-allyl-1-[(4-methylphenyl)sulfonyl]-5-oxoprolinamide
CID 2956482
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 4-methyl-benzylamide
CID 3219590
L-Cysteinyl-L-isoleucine-phenethylamide
CID 9797912
(2S,4S)-1-((R)-3-(4-fluorobenzylsulfonyl)-2-amino-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10112957
(2S,4S)-1-((R)-2-amino-3-(benzylsulfonyl)-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10135822
(2S,4S)-1-((R)-2-amino-3-methyl-3-(3-phenylpropylsulfonyl)butanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10200731
(S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10789732

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 51240604) is N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QJDMARWIUISHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-2-12-23(21,22)19-11-3-4-15(19)16(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51240604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).