(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide

C11H11F3N2O2S — CID 166390844

IUPAC(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)sc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H11F3N2O2S/c1-5-4-7(11(12,13)14)19-10(5)16-9(18)6-2-3-8(17)15-6/h4,6H,2-3H2,1H3,(H,15,17)(H,16,18)/t6-/m0/s1
InChIKeyJXEZMLYTCSENHT-LURJTMIESA-N
MW292.28 g/mol
LogP2.29
Rot. Bonds2

About (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 166390844) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID166390844
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)sc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H11F3N2O2S/c1-5-4-7(11(12,13)14)19-10(5)16-9(18)6-2-3-8(17)15-6/h4,6H,2-3H2,1H3,(H,15,17)(H,16,18)/t6-/m0/s1
InChIKeyJXEZMLYTCSENHT-LURJTMIESA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-1-({2-[(2,2-dimethylpropanoyl)amino]-5-methyl-3-thienyl}carbonyl)-N-methyl-L-prolinamide
CID 56703857
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156745068
2-acetamido-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 167232717
2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431021
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 171788475
N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 172831605
N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
CID 39162715
4,4-difluoro-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 120347640
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120348031
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120348032
(2S)-1-acetyl-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 166390845

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 166390844) is (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(C(F)(F)F)sc1NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JXEZMLYTCSENHT-LURJTMIESA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-5-4-7(11(12,13)14)19-10(5)16-9(18)6-2-3-8(17)15-6/h4,6H,2-3H2,1H3,(H,15,17)(H,16,18)/t6-/m0/s1.
What are the key properties of (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 292.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166390844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).