(3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H19F3N2O2S — CID 95298263

IUPAC(3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H19F3N2O2S/c1-12-6-7-27-16(12)11-23(2)18(26)13-8-17(25)24(10-13)15-5-3-4-14(9-15)19(20,21)22/h3-7,9,13H,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyVGTXLDXFPYSIAI-CYBMUJFWSA-N
MW396.43 g/mol
LogP4.09
Rot. Bonds4

About (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 95298263) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID95298263
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name(3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H19F3N2O2S/c1-12-6-7-27-16(12)11-23(2)18(26)13-8-17(25)24(10-13)15-5-3-4-14(9-15)19(20,21)22/h3-7,9,13H,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyVGTXLDXFPYSIAI-CYBMUJFWSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 95298263) is (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VGTXLDXFPYSIAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-12-6-7-27-16(12)11-23(2)18(26)13-8-17(25)24(10-13)15-5-3-4-14(9-15)19(20,21)22/h3-7,9,13H,8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95298263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).