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

C20H21FN2O3S — CID 2907786

IUPAC1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3S/c1-22(2)10-4-11-23-17(13-6-8-14(21)9-7-13)16(19(25)20(23)26)18(24)15-5-3-12-27-15/h3,5-9,12,17,25H,4,10-11H2,1-2H3
InChIKeyBSUJDTISSWRXHX-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.42
Rot. Bonds7

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

1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2907786) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2907786
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3S/c1-22(2)10-4-11-23-17(13-6-8-14(21)9-7-13)16(19(25)20(23)26)18(24)15-5-3-12-27-15/h3,5-9,12,17,25H,4,10-11H2,1-2H3
InChIKeyBSUJDTISSWRXHX-UHFFFAOYSA-N
XLogP3.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.42
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
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
4-Acetyl-1-benzyl-3-hydroxy-5-thiophen-2-yl-1,5-dihydro-pyrrol-2-one
CID 646382
1-[3-(Dimethylamino)propyl]-3-hydroxy-5-(3-nitrophenyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 2908803
3-Hydroxy-1-(2-methoxyethyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3147557

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2907786) is 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is BSUJDTISSWRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-22(2)10-4-11-23-17(13-6-8-14(21)9-7-13)16(19(25)20(23)26)18(24)15-5-3-12-27-15/h3,5-9,12,17,25H,4,10-11H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 388.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2907786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).