3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid

C15H11NO5S — CID 68832417

IUPAC3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)COc1c(-c2ccc3[nH]ccc3c2)csc1C(=O)O
InChIInChI=1S/C15H11NO5S/c17-12(18)6-21-13-10(7-22-14(13)15(19)20)8-1-2-11-9(5-8)3-4-16-11/h1-5,7,16H,6H2,(H,17,18)(H,19,20)
InChIKeyFCZFFCRGSWEVMC-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.06
Rot. Bonds5

About 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid

3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid (PubChem CID 68832417) has the molecular formula C15H11NO5S and a molecular weight of 317.32 g/mol. Its IUPAC name is 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid
PubChem CID68832417
Molecular FormulaC15H11NO5S
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)COc1c(-c2ccc3[nH]ccc3c2)csc1C(=O)O
InChIInChI=1S/C15H11NO5S/c17-12(18)6-21-13-10(7-22-14(13)15(19)20)8-1-2-11-9(5-8)3-4-16-11/h1-5,7,16H,6H2,(H,17,18)(H,19,20)
InChIKeyFCZFFCRGSWEVMC-UHFFFAOYSA-N
XLogP3.06
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(carboxymethoxy)-4-(1H-indol-5-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 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid (CID 68832417) is 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid is O=C(O)COc1c(-c2ccc3[nH]ccc3c2)csc1C(=O)O.
What is the InChIKey of 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is FCZFFCRGSWEVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5S/c17-12(18)6-21-13-10(7-22-14(13)15(19)20)8-1-2-11-9(5-8)3-4-16-11/h1-5,7,16H,6H2,(H,17,18)(H,19,20).
What are the key properties of 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid?
3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-4-(1H-indol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68832417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).