2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C21H21FN2O4S — CID 2908455

IUPAC2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1F)c1cccs1
InChIInChI=1S/C21H21FN2O4S/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-13-29-16)20(26)21(27)24(18)8-7-23-9-11-28-12-10-23/h1-6,13,18,26H,7-12H2
InChIKeyGKSKSDNRNPXFJZ-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.80
Rot. Bonds6

About 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2908455) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2908455
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1F)c1cccs1
InChIInChI=1S/C21H21FN2O4S/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-13-29-16)20(26)21(27)24(18)8-7-23-9-11-28-12-10-23/h1-6,13,18,26H,7-12H2
InChIKeyGKSKSDNRNPXFJZ-UHFFFAOYSA-N
XLogP2.80
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 647511
5-(3-bromophenyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-4-(thien-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908193
3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909953
5-(4-Fluoro-phenyl)-3-hydroxy-1-(2-morpholin-4-yl-ethyl)-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 2910300
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302
5-acetyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-thiophenecarboxamide
CID 24791102
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70686209
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70696608
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
CID 4807552
3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909582
2-fluoro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
CID 18150862
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 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2908455) is 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1F)c1cccs1.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is GKSKSDNRNPXFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-13-29-16)20(26)21(27)24(18)8-7-23-9-11-28-12-10-23/h1-6,13,18,26H,7-12H2.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 416.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2908455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).