4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C20H21NO4S — CID 108578554

IUPAC4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1Cc1cccs1
InChIInChI=1S/C20H21NO4S/c1-12(2)18(22)16-17(14-8-4-5-9-15(14)25-3)21(20(24)19(16)23)11-13-7-6-10-26-13/h4-10,12,17,23H,11H2,1-3H3
InChIKeyJCRKXDGROLRZKM-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.88
Rot. Bonds6

About 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108578554) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108578554
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1Cc1cccs1
InChIInChI=1S/C20H21NO4S/c1-12(2)18(22)16-17(14-8-4-5-9-15(14)25-3)21(20(24)19(16)23)11-13-7-6-10-26-13/h4-10,12,17,23H,11H2,1-3H3
InChIKeyJCRKXDGROLRZKM-UHFFFAOYSA-N
XLogP3.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108644329
4-hydroxy-2-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108578572
4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108621827
2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108641843
4-hydroxy-2-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108689909
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700710
1-(1-benzothiophen-5-yl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 58366130
(4E)-4-[(5-chloro-2,4-dimethoxyphenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108578521
2-[3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 44825093
(4E)-4-[hydroxy-(2-methoxy-3,5-dimethylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108578519
(4Z)-4-[hydroxy-(4-propoxyphenyl)methylidene]-5-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108578547
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108579783

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 108578554) is 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1Cc1cccs1.
What is the InChIKey of 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is JCRKXDGROLRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-12(2)18(22)16-17(14-8-4-5-9-15(14)25-3)21(20(24)19(16)23)11-13-7-6-10-26-13/h4-10,12,17,23H,11H2,1-3H3.
What are the key properties of 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 371.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108578554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).