N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C14H17F3N2O2S — CID 110870555

IUPACN-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCN1C(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C14H17F3N2O2S/c1-13(2,10-6-4-8-22-10)18-11(20)9-5-3-7-19(9)12(21)14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,20)
InChIKeyQUSWSIJFXBUQTR-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.65
Rot. Bonds3

About N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110870555) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110870555
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC NameN-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCN1C(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C14H17F3N2O2S/c1-13(2,10-6-4-8-22-10)18-11(20)9-5-3-7-19(9)12(21)14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,20)
InChIKeyQUSWSIJFXBUQTR-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]thiophene-2-carboxamide
CID 44560255
Proline scaffold, 32
CID 42618129
N-cyclopentyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3242787
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxo-N-(thiophen-2-ylmethyl)prolinamide
CID 3881425
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
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
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
Proline scaffold, 12
CID 42618110
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110870555) is N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC(C)(NC(=O)C1CCCN1C(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is QUSWSIJFXBUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-13(2,10-6-4-8-22-10)18-11(20)9-5-3-7-19(9)12(21)14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,20).
What are the key properties of N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 334.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylpropan-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110870555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).