(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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Related Compounds

(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 125142953
3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide
CID 166316770
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
(3R)-3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 97300292
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
CID 117014136
(2S)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 96526165
N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 75371935

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).