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

C19H18FNO5S — CID 3692715

IUPAC2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccc(F)c1)c1cccs1
InChIInChI=1S/C19H18FNO5S/c20-13-4-1-3-12(11-13)16-15(17(23)14-5-2-10-27-14)18(24)19(25)21(16)6-8-26-9-7-22/h1-5,10-11,16,22,24H,6-9H2
InChIKeyAFVJXQNWOSSYII-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.47
Rot. Bonds8

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

2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3692715) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3692715
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Name2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccc(F)c1)c1cccs1
InChIInChI=1S/C19H18FNO5S/c20-13-4-1-3-12(11-13)16-15(17(23)14-5-2-10-27-14)18(24)19(25)21(16)6-8-26-9-7-22/h1-5,10-11,16,22,24H,6-9H2
InChIKeyAFVJXQNWOSSYII-UHFFFAOYSA-N
XLogP2.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3692715) is 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccc(F)c1)c1cccs1.
What is the InChIKey of 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is AFVJXQNWOSSYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5S/c20-13-4-1-3-12(11-13)16-15(17(23)14-5-2-10-27-14)18(24)19(25)21(16)6-8-26-9-7-22/h1-5,10-11,16,22,24H,6-9H2.
What are the key properties of 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 391.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3692715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).