4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C19H19NO4S — CID 2917705

IUPAC4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-24-11-6-10-20-16(13-7-3-2-4-8-13)15(18(22)19(20)23)17(21)14-9-5-12-25-14/h2-5,7-9,12,16,22H,6,10-11H2,1H3
InChIKeyLKHKZVWDEHCSHB-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.36
Rot. Bonds7

About 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2917705) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2917705
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-24-11-6-10-20-16(13-7-3-2-4-8-13)15(18(22)19(20)23)17(21)14-9-5-12-25-14/h2-5,7-9,12,16,22H,6,10-11H2,1H3
InChIKeyLKHKZVWDEHCSHB-UHFFFAOYSA-N
XLogP3.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2917705) is 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is LKHKZVWDEHCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-24-11-6-10-20-16(13-7-3-2-4-8-13)15(18(22)19(20)23)17(21)14-9-5-12-25-14/h2-5,7-9,12,16,22H,6,10-11H2,1H3.
What are the key properties of 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 357.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2917705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).