2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid

C15H11NO3S — CID 2212703

IUPAC2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H11NO3S/c17-14(18)9-16-8-11(10-4-1-2-5-12(10)16)15(19)13-6-3-7-20-13/h1-8H,9H2,(H,17,18)
InChIKeyDUXKHSLBZFKQQF-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.02
Rot. Bonds4

About 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid

2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid (PubChem CID 2212703) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid
PubChem CID2212703
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H11NO3S/c17-14(18)9-16-8-11(10-4-1-2-5-12(10)16)15(19)13-6-3-7-20-13/h1-8H,9H2,(H,17,18)
InChIKeyDUXKHSLBZFKQQF-UHFFFAOYSA-N
XLogP3.02
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic 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 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid (CID 2212703) is 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid?
The InChIKey is DUXKHSLBZFKQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-14(18)9-16-8-11(10-4-1-2-5-12(10)16)15(19)13-6-3-7-20-13/h1-8H,9H2,(H,17,18).
What are the key properties of 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid?
2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid has a molecular weight of 285.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetic acid is sourced from PubChem (CID 2212703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).