1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one

C24H20ClNO3S — CID 108587569

IUPAC1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1cccs1
InChIInChI=1S/C24H20ClNO3S/c1-15-9-11-17(25)14-18(15)26-22(20-8-5-13-30-20)21(23(28)24(26)29)19(27)12-10-16-6-3-2-4-7-16/h2-9,11,13-14,22,28H,10,12H2,1H3
InChIKeyGGNWMTQJHDWKQJ-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.81
Rot. Bonds6

About 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one

1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 108587569) has the molecular formula C24H20ClNO3S and a molecular weight of 437.95 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID108587569
Molecular FormulaC24H20ClNO3S
Molecular Weight437.95 g/mol
Exact Mass437.09
IUPAC Name1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1cccs1
InChIInChI=1S/C24H20ClNO3S/c1-15-9-11-17(25)14-18(15)26-22(20-8-5-13-30-20)21(23(28)24(26)29)19(27)12-10-16-6-3-2-4-7-16/h2-9,11,13-14,22,28H,10,12H2,1H3
InChIKeyGGNWMTQJHDWKQJ-UHFFFAOYSA-N
XLogP5.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622879
1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587555
4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622966
1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 4662918
4-[4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108671783
4-hydroxy-1-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108722560
4-hydroxy-3-(3-phenylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622009
1-(3-chloro-4-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593829
(4Z)-1-(5-chloro-2-methylphenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108587535
3-(1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588137
1-(2,4-difluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108583139
(4Z)-1-(5-chloro-2-methylphenyl)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108587561

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 108587569) is 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one is Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1cccs1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is GGNWMTQJHDWKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3S/c1-15-9-11-17(25)14-18(15)26-22(20-8-5-13-30-20)21(23(28)24(26)29)19(27)12-10-16-6-3-2-4-7-16/h2-9,11,13-14,22,28H,10,12H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 437.95 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108587569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).