N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H17F3N2O2S — CID 46806850

IUPACN-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H17F3N2O2S/c1-27-16-8-3-2-7-15(16)23-18(26)12-9-17(25)24(11-12)14-6-4-5-13(10-14)19(20,21)22/h2-8,10,12H,9,11H2,1H3,(H,23,26)
InChIKeyAFZJSGIFAAXERG-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.42
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46806850) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46806850
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H17F3N2O2S/c1-27-16-8-3-2-7-15(16)23-18(26)12-9-17(25)24(11-12)14-6-4-5-13(10-14)19(20,21)22/h2-8,10,12H,9,11H2,1H3,(H,23,26)
InChIKeyAFZJSGIFAAXERG-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6491186
N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46553483
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46266865
N-(2-ethoxy-3-pyridinyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55678986
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
N-(3-chloro-4-methylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188658
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55358543
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
5-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 17456684
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260278

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 46806850) is N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CSc1ccccc1NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is AFZJSGIFAAXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-27-16-8-3-2-7-15(16)23-18(26)12-9-17(25)24(11-12)14-6-4-5-13(10-14)19(20,21)22/h2-8,10,12H,9,11H2,1H3,(H,23,26).
What are the key properties of N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46806850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).