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

C18H16FNO4S — CID 2918415

IUPAC2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F
InChIInChI=1S/C18H16FNO4S/c1-24-9-8-20-15(11-5-2-3-6-12(11)19)14(17(22)18(20)23)16(21)13-7-4-10-25-13/h2-7,10,15,22H,8-9H2,1H3
InChIKeyPZWMQSZWTKGXHM-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.11
Rot. Bonds6

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

2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2918415) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2918415
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F
InChIInChI=1S/C18H16FNO4S/c1-24-9-8-20-15(11-5-2-3-6-12(11)19)14(17(22)18(20)23)16(21)13-7-4-10-25-13/h2-7,10,15,22H,8-9H2,1H3
InChIKeyPZWMQSZWTKGXHM-UHFFFAOYSA-N
XLogP3.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2918415) is 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is PZWMQSZWTKGXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-24-9-8-20-15(11-5-2-3-6-12(11)19)14(17(22)18(20)23)16(21)13-7-4-10-25-13/h2-7,10,15,22H,8-9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 361.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2918415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).