(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide

C15H19FN2O4S — CID 124572424

IUPAC(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4S/c1-3-8-23(21,22)17-15(20)12-9-13(19)18(2)14(12)10-4-6-11(16)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,17,20)/t12-,14-/m0/s1
InChIKeyJLMHHCMMQLMSFU-JSGCOSHPSA-N
MW342.39 g/mol
LogP1.20
Rot. Bonds5

About (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide

(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide (PubChem CID 124572424) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide
PubChem CID124572424
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4S/c1-3-8-23(21,22)17-15(20)12-9-13(19)18(2)14(12)10-4-6-11(16)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,17,20)/t12-,14-/m0/s1
InChIKeyJLMHHCMMQLMSFU-JSGCOSHPSA-N
XLogP1.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 120537896
2-(4-fluorophenyl)-1-methyl-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 71689623
(2R,3R)-2-(4-fluorophenyl)-1-methyl-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95740374
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 138055780
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[(3R)-thian-3-yl]pyrrolidine-3-carboxamide
CID 97246151
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 125135854
2-(4-chloro-3-fluorophenyl)-1-methyl-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154110
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid
CID 120528918
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 100856248
5-(4-fluorophenyl)-1-methyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 71689611
(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740503

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide (CID 124572424) is (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide is CCCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is JLMHHCMMQLMSFU-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-3-8-23(21,22)17-15(20)12-9-13(19)18(2)14(12)10-4-6-11(16)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,17,20)/t12-,14-/m0/s1.
What are the key properties of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide?
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124572424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).