1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

C18H17F3N2O3S — CID 86831977

IUPAC1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)26-13-7-5-12(6-8-13)22-17(25)15-4-1-9-23(15)16(24)11-14-3-2-10-27-14/h2-3,5-8,10,15H,1,4,9,11H2,(H,22,25)
InChIKeyNHHONPXTKUTWES-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.82
Rot. Bonds5

About 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 86831977) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID86831977
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC Name1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)26-13-7-5-12(6-8-13)22-17(25)15-4-1-9-23(15)16(24)11-14-3-2-10-27-14/h2-3,5-8,10,15H,1,4,9,11H2,(H,22,25)
InChIKeyNHHONPXTKUTWES-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-nitrophenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839958
(2S)-N-[4-[2-[4-[[(2S)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 91612768
(2S)-1-propanoyl-N-[4-[(E)-2-[4-[[(2S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768918
(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 58768723
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
1-(2-thiophen-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55738650
N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86840341
(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 124721737
N-(1-adamantyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839728
2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
CID 91815998
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (CID 86831977) is 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NHHONPXTKUTWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-18(20,21)26-13-7-5-12(6-8-13)22-17(25)15-4-1-9-23(15)16(24)11-14-3-2-10-27-14/h2-3,5-8,10,15H,1,4,9,11H2,(H,22,25).
What are the key properties of 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86831977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).