5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid

C20H13NO3S — CID 177381263

IUPAC5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3ccccc3)c3ccccc32)s1
InChIInChI=1S/C20H13NO3S/c22-19(13-6-2-1-3-7-13)15-12-21(16-9-5-4-8-14(15)16)18-11-10-17(25-18)20(23)24/h1-12H,(H,23,24)
InChIKeyHBQKNNWYQDLNJS-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.62
Rot. Bonds4

About 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid

5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid (PubChem CID 177381263) has the molecular formula C20H13NO3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid
PubChem CID177381263
Molecular FormulaC20H13NO3S
Molecular Weight347.40 g/mol
Exact Mass347.06
IUPAC Name5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3ccccc3)c3ccccc32)s1
InChIInChI=1S/C20H13NO3S/c22-19(13-6-2-1-3-7-13)15-12-21(16-9-5-4-8-14(15)16)18-11-10-17(25-18)20(23)24/h1-12H,(H,23,24)
InChIKeyHBQKNNWYQDLNJS-UHFFFAOYSA-N
XLogP4.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic 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-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid (CID 177381263) is 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-n2cc(C(=O)c3ccccc3)c3ccccc32)s1.
What is the InChIKey of 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid?
The InChIKey is HBQKNNWYQDLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3S/c22-19(13-6-2-1-3-7-13)15-12-21(16-9-5-4-8-14(15)16)18-11-10-17(25-18)20(23)24/h1-12H,(H,23,24).
What are the key properties of 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid?
5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzoylindol-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 177381263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).