4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

C20H21NO4S — CID 108610472

IUPAC4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
SMILESCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2sccc2C)cc1
InChIInChI=1S/C20H21NO4S/c1-11(2)17(22)15-16(19-12(3)9-10-26-19)21(20(24)18(15)23)13-5-7-14(25-4)8-6-13/h5-11,16,23H,1-4H3
InChIKeyOTEBRZLYYBMLIF-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.19
Rot. Bonds5

About 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (PubChem CID 108610472) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
PubChem CID108610472
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
SMILESCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2sccc2C)cc1
InChIInChI=1S/C20H21NO4S/c1-11(2)17(22)15-16(19-12(3)9-10-26-19)21(20(24)18(15)23)13-5-7-14(25-4)8-6-13/h5-11,16,23H,1-4H3
InChIKeyOTEBRZLYYBMLIF-UHFFFAOYSA-N
XLogP4.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108662003
4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108687219
[3-[4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108688257
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxyphenyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108610318
4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108688953
1-(1-benzothiophen-5-yl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 58366130
(4Z)-1-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-methylthiophen-2-yl)pyrrolidine-2,3-dione
CID 108610648
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
1-(3-chloro-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108687152
1-(4-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587725
(4Z)-4-[(3,5-dichloro-4-methoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2,3-dione
CID 108610447
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (CID 108610472) is 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is COc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2sccc2C)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The InChIKey is OTEBRZLYYBMLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-11(2)17(22)15-16(19-12(3)9-10-26-19)21(20(24)18(15)23)13-5-7-14(25-4)8-6-13/h5-11,16,23H,1-4H3.
What are the key properties of 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one has a molecular weight of 371.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108610472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).