5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid

C25H22F3NO4S — CID 23650092

IUPAC5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21
InChIInChI=1S/C25H22F3NO4S/c26-25(27,28)24-20(16-5-2-1-3-6-16)14-19(34-24)15-33-18-9-10-21-17(13-18)11-12-29(21)22(30)7-4-8-23(31)32/h1-3,5-6,9-10,13-14H,4,7-8,11-12,15H2,(H,31,32)
InChIKeyUORWLOXWGAPFOS-UHFFFAOYSA-N
MW489.52 g/mol
LogP6.16
Rot. Bonds8

About 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid

5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid (PubChem CID 23650092) has the molecular formula C25H22F3NO4S and a molecular weight of 489.52 g/mol. Its IUPAC name is 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid
PubChem CID23650092
Molecular FormulaC25H22F3NO4S
Molecular Weight489.52 g/mol
Exact Mass489.12
IUPAC Name5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21
InChIInChI=1S/C25H22F3NO4S/c26-25(27,28)24-20(16-5-2-1-3-6-16)14-19(34-24)15-33-18-9-10-21-17(13-18)11-12-29(21)22(30)7-4-8-23(31)32/h1-3,5-6,9-10,13-14H,4,7-8,11-12,15H2,(H,31,32)
InChIKeyUORWLOXWGAPFOS-UHFFFAOYSA-N
XLogP6.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.52
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid 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 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid?
The IUPAC name of 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid (CID 23650092) is 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid?
The canonical SMILES for 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid is O=C(O)CCCC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21.
What is the InChIKey of 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid?
The InChIKey is UORWLOXWGAPFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO4S/c26-25(27,28)24-20(16-5-2-1-3-6-16)14-19(34-24)15-33-18-9-10-21-17(13-18)11-12-29(21)22(30)7-4-8-23(31)32/h1-3,5-6,9-10,13-14H,4,7-8,11-12,15H2,(H,31,32).
What are the key properties of 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid?
5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid has a molecular weight of 489.52 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]pentanoic acid is sourced from PubChem (CID 23650092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).