2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid

C33H22N2O2S5 — CID 90139412

IUPAC2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid
SMILESCc1cc(-c2ccc(-c3cccnc3)s2)sc1-c1ccc(-c2sc(-c3ccc(-c4cccnc4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C33H22N2O2S5/c1-19-14-29(25-8-6-23(38-25)20-4-2-12-34-17-20)41-32(19)27-10-11-28(40-27)33-22(16-31(36)37)15-30(42-33)26-9-7-24(39-26)21-5-3-13-35-18-21/h2-15,17-18H,16H2,1H3,(H,36,37)
InChIKeyZBCVZKBTHIULQQ-UHFFFAOYSA-N
MW638.89 g/mol
LogP10.72
Rot. Bonds8

About 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid

2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid (PubChem CID 90139412) has the molecular formula C33H22N2O2S5 and a molecular weight of 638.89 g/mol. Its IUPAC name is 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid
PubChem CID90139412
Molecular FormulaC33H22N2O2S5
Molecular Weight638.89 g/mol
Exact Mass638.03
IUPAC Name2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid
SMILESCc1cc(-c2ccc(-c3cccnc3)s2)sc1-c1ccc(-c2sc(-c3ccc(-c4cccnc4)s3)cc2CC(=O)O)s1
InChIInChI=1S/C33H22N2O2S5/c1-19-14-29(25-8-6-23(38-25)20-4-2-12-34-17-20)41-32(19)27-10-11-28(40-27)33-22(16-31(36)37)15-30(42-33)26-9-7-24(39-26)21-5-3-13-35-18-21/h2-15,17-18H,16H2,1H3,(H,36,37)
InChIKeyZBCVZKBTHIULQQ-UHFFFAOYSA-N
XLogP10.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.89
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-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-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid (CID 90139412) is 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid is Cc1cc(-c2ccc(-c3cccnc3)s2)sc1-c1ccc(-c2sc(-c3ccc(-c4cccnc4)s3)cc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid?
The InChIKey is ZBCVZKBTHIULQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O2S5/c1-19-14-29(25-8-6-23(38-25)20-4-2-12-34-17-20)41-32(19)27-10-11-28(40-27)33-22(16-31(36)37)15-30(42-33)26-9-7-24(39-26)21-5-3-13-35-18-21/h2-15,17-18H,16H2,1H3,(H,36,37).
What are the key properties of 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid?
2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid has a molecular weight of 638.89 g/mol, XLogP of 10.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 90139412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).