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

C19H19NO3S — CID 108662003

IUPAC4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one
SMILESCc1ccsc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19NO3S/c1-11(2)16(21)14-15(18-12(3)9-10-24-18)20(19(23)17(14)22)13-7-5-4-6-8-13/h4-11,15,22H,1-3H3
InChIKeyKIXJXIAXTNAOIZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.18
Rot. Bonds4

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

4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one (PubChem CID 108662003) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one
PubChem CID108662003
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one
SMILESCc1ccsc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19NO3S/c1-11(2)16(21)14-15(18-12(3)9-10-24-18)20(19(23)17(14)22)13-7-5-4-6-8-13/h4-11,15,22H,1-3H3
InChIKeyKIXJXIAXTNAOIZ-UHFFFAOYSA-N
XLogP4.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108610472
4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108687219
4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626200
1-(4-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587725
2-(4-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108594942
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108678459
4-hydroxy-1-(4-methylphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626461
3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108661632
4-hydroxy-2-(3-methylthiophen-2-yl)-3-(thiophene-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108687165
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638037
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxyphenyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108610318

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one (CID 108662003) is 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one is Cc1ccsc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccccc1.
What is the InChIKey of 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one?
The InChIKey is KIXJXIAXTNAOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-11(2)16(21)14-15(18-12(3)9-10-24-18)20(19(23)17(14)22)13-7-5-4-6-8-13/h4-11,15,22H,1-3H3.
What are the key properties of 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one?
4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one has a molecular weight of 341.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108662003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).