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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Related Compounds

3-Hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 647511
3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909953
5-(4-Fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-YL)ethyl]-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
CID 2910300
(2,5-Difluorophenyl){1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanone
CID 16188890
5-acetyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-thiophenecarboxamide
CID 24791102
3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269951
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70696608
N-Cyclopentyl-2,6-difluoro-N-[(thiophen-2-yl)methyl]benzamide
CID 3224911
(2,5-Difluorophenyl){1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanone
CID 16190860
5-(2-Fluorophenyl)-3-hydroxy-1-(2-(4-morpholinyl)ethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908455
1-(5-{[3-(2,5-Difluorobenzoyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 16189923
N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 24980063

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).