2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H18F3N2OS+ — CID 9446648

IUPAC2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[NH+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)12-5-1-2-6-13(12)21-16(23)11-22-9-3-7-14(22)15-8-4-10-24-15/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,21,23)/p+1/t14-/m0/s1
InChIKeyGRNOSFCUQVRSGC-AWEZNQCLSA-O
MW355.41 g/mol
LogP3.13
Rot. Bonds4

About 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 9446648) has the molecular formula C17H18F3N2OS+ and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID9446648
Molecular FormulaC17H18F3N2OS+
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[NH+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)12-5-1-2-6-13(12)21-16(23)11-22-9-3-7-14(22)15-8-4-10-24-15/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,21,23)/p+1/t14-/m0/s1
InChIKeyGRNOSFCUQVRSGC-AWEZNQCLSA-O
XLogP3.13
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenoxyphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9360271
N-(2-phenylethyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9317430
dimethyl 2-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 9446510
N-(3-fluoro-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446766
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11929318
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11944178
ethyl 5-acetyl-4-methyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 9445882
(2S)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24545782
2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2576082
2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429538
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 9446648) is 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(C[NH+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GRNOSFCUQVRSGC-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H17F3N2OS/c18-17(19,20)12-5-1-2-6-13(12)21-16(23)11-22-9-3-7-14(22)15-8-4-10-24-15/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,21,23)/p+1/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9446648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).