3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one

C23H19NO3S — CID 5293402

IUPAC3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESO=C(CC1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cccs1
InChIInChI=1S/C23H19NO3S/c25-20(21-13-7-15-28-21)16-23(27)18-11-4-5-12-19(18)24(22(23)26)14-6-10-17-8-2-1-3-9-17/h1-13,15,27H,14,16H2/b10-6+
InChIKeyOYLRICYVDYXSOV-UXBLZVDNSA-N
MW389.48 g/mol
LogP4.27
Rot. Bonds6

About 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one

3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one (PubChem CID 5293402) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
PubChem CID5293402
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESO=C(CC1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cccs1
InChIInChI=1S/C23H19NO3S/c25-20(21-13-7-15-28-21)16-23(27)18-11-4-5-12-19(18)24(22(23)26)14-6-10-17-8-2-1-3-9-17/h1-13,15,27H,14,16H2/b10-6+
InChIKeyOYLRICYVDYXSOV-UXBLZVDNSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one (CID 5293402) is 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one is O=C(CC1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cccs1.
What is the InChIKey of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The InChIKey is OYLRICYVDYXSOV-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-20(21-13-7-15-28-21)16-23(27)18-11-4-5-12-19(18)24(22(23)26)14-6-10-17-8-2-1-3-9-17/h1-13,15,27H,14,16H2/b10-6+.
What are the key properties of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one has a molecular weight of 389.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one is sourced from PubChem (CID 5293402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).