(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide

C15H17F3N2O2S — CID 124618540

IUPAC(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
SMILESCS[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C15H17F3N2O2S/c1-9(23-2)13(21)19-11-7-8-20(14(11)22)12-6-4-3-5-10(12)15(16,17)18/h3-6,9,11H,7-8H2,1-2H3,(H,19,21)/t9-,11-/m1/s1
InChIKeyVWSMUISOQUHWNL-MWLCHTKSSA-N
MW346.37 g/mol
LogP2.68
Rot. Bonds4

About (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide

(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide (PubChem CID 124618540) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
PubChem CID124618540
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
SMILESCS[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C15H17F3N2O2S/c1-9(23-2)13(21)19-11-7-8-20(14(11)22)12-6-4-3-5-10(12)15(16,17)18/h3-6,9,11H,7-8H2,1-2H3,(H,19,21)/t9-,11-/m1/s1
InChIKeyVWSMUISOQUHWNL-MWLCHTKSSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide (CID 124618540) is (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide is CS[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
The InChIKey is VWSMUISOQUHWNL-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-9(23-2)13(21)19-11-7-8-20(14(11)22)12-6-4-3-5-10(12)15(16,17)18/h3-6,9,11H,7-8H2,1-2H3,(H,19,21)/t9-,11-/m1/s1.
What are the key properties of (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide has a molecular weight of 346.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 124618540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).