1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

C17H24F3N3O4S — CID 154888089

IUPAC1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C1CC(=O)N(CCN(C)C)C1)c1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2S.C2HF3O2/c1-11(13-5-4-8-21-13)16-15(20)12-9-14(19)18(10-12)7-6-17(2)3;3-2(4,5)1(6)7/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,16,20);(H,6,7)
InChIKeyMEDWCOSJSZEGFC-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154888089) has the molecular formula C17H24F3N3O4S and a molecular weight of 423.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154888089
Molecular FormulaC17H24F3N3O4S
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC Name1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C1CC(=O)N(CCN(C)C)C1)c1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2S.C2HF3O2/c1-11(13-5-4-8-21-13)16-15(20)12-9-14(19)18(10-12)7-6-17(2)3;3-2(4,5)1(6)7/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,16,20);(H,6,7)
InChIKeyMEDWCOSJSZEGFC-UHFFFAOYSA-N
XLogP1.97
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154888089) is 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is CC(NC(=O)C1CC(=O)N(CCN(C)C)C1)c1cccs1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MEDWCOSJSZEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.C2HF3O2/c1-11(13-5-4-8-21-13)16-15(20)12-9-14(19)18(10-12)7-6-17(2)3;3-2(4,5)1(6)7/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,16,20);(H,6,7).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 423.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-oxo-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).