N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H20F3N3O2S — CID 42956799

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cccs1
InChIInChI=1S/C15H20F3N3O2S/c1-20(2)11(12-4-3-5-24-12)7-19-14(23)10-6-13(22)21(8-10)9-15(16,17)18/h3-5,10-11H,6-9H2,1-2H3,(H,19,23)
InChIKeyIRMZXYGUELCKTK-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 42956799) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID42956799
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cccs1
InChIInChI=1S/C15H20F3N3O2S/c1-20(2)11(12-4-3-5-24-12)7-19-14(23)10-6-13(22)21(8-10)9-15(16,17)18/h3-5,10-11H,6-9H2,1-2H3,(H,19,23)
InChIKeyIRMZXYGUELCKTK-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4425543
(2S,4S)-4-Fluoro-1-{N-[1-methyl-1-(2-thienyl)-ethyl]glycyl}pyrrolidine-2-carbonitrile
CID 44560154
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4306436
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
N-cyclohexyl-N~2~-[(2,5-dioxoimidazolidin-4-yl)acetyl]-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 4234389
1-[2,5-Dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 2980621
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 42956799) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CN(C)C(CNC(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is IRMZXYGUELCKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c1-20(2)11(12-4-3-5-24-12)7-19-14(23)10-6-13(22)21(8-10)9-15(16,17)18/h3-5,10-11H,6-9H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42956799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).