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

C23H19NO3S — CID 108622966

IUPAC4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)C1c1cccs1
InChIInChI=1S/C23H19NO3S/c25-18(14-13-16-8-3-1-4-9-16)20-21(19-12-7-15-28-19)24(23(27)22(20)26)17-10-5-2-6-11-17/h1-12,15,21,26H,13-14H2
InChIKeyMTFGFDTYYPANJR-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.85
Rot. Bonds6

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

4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 108622966) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID108622966
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)C1c1cccs1
InChIInChI=1S/C23H19NO3S/c25-18(14-13-16-8-3-1-4-9-16)20-21(19-12-7-15-28-19)24(23(27)22(20)26)17-10-5-2-6-11-17/h1-12,15,21,26H,13-14H2
InChIKeyMTFGFDTYYPANJR-UHFFFAOYSA-N
XLogP4.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108671783
1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 4662918
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-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587569
4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
4-hydroxy-3-(3-phenylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622009
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-1-(3-methoxyphenyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108637636
1-(3-bromophenyl)-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108671680
1-(3-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108616407
1-(4-fluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647226
2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607974

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 108622966) is 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)C1c1cccs1.
What is the InChIKey of 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is MTFGFDTYYPANJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-18(14-13-16-8-3-1-4-9-16)20-21(19-12-7-15-28-19)24(23(27)22(20)26)17-10-5-2-6-11-17/h1-12,15,21,26H,13-14H2.
What are the key properties of 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 389.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108622966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).