1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C19H19FN2O3S — CID 2910181

IUPAC1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c1-21(2)9-10-22-16(12-6-3-4-7-13(12)20)15(18(24)19(22)25)17(23)14-8-5-11-26-14/h3-8,11,16,24H,9-10H2,1-2H3
InChIKeyRLPPUNYDLYBSOK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.03
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2910181) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2910181
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c1-21(2)9-10-22-16(12-6-3-4-7-13(12)20)15(18(24)19(22)25)17(23)14-8-5-11-26-14/h3-8,11,16,24H,9-10H2,1-2H3
InChIKeyRLPPUNYDLYBSOK-UHFFFAOYSA-N
XLogP3.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2910181) is 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is RLPPUNYDLYBSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-21(2)9-10-22-16(12-6-3-4-7-13(12)20)15(18(24)19(22)25)17(23)14-8-5-11-26-14/h3-8,11,16,24H,9-10H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 374.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2910181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).