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

C19H14O2S4 — CID 90139364

IUPAC2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESCc1cc(-c2cccs2)sc1-c1ccc(-c2sccc2CC(=O)O)s1
InChIInChI=1S/C19H14O2S4/c1-11-9-16(13-3-2-7-22-13)25-18(11)14-4-5-15(24-14)19-12(6-8-23-19)10-17(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLAPYUFDAOFOFNG-UHFFFAOYSA-N
MW402.59 g/mol
LogP6.87
Rot. Bonds5

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

2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid (PubChem CID 90139364) has the molecular formula C19H14O2S4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
PubChem CID90139364
Molecular FormulaC19H14O2S4
Molecular Weight402.59 g/mol
Exact Mass401.99
IUPAC Name2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESCc1cc(-c2cccs2)sc1-c1ccc(-c2sccc2CC(=O)O)s1
InChIInChI=1S/C19H14O2S4/c1-11-9-16(13-3-2-7-22-13)25-18(11)14-4-5-15(24-14)19-12(6-8-23-19)10-17(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLAPYUFDAOFOFNG-UHFFFAOYSA-N
XLogP6.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
bis(carbon dioxide);5-[5-[4-(carboxymethyl)-5-[5-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 158329283
2-[2-[5-[3-(carboxymethyl)-5-(3-propan-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 90929560
3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid
CID 121380606
5-[4-(carboxymethyl)-5-[4-(3-methyl-5-thiophen-2-ylthiophen-2-yl)phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 90139378
2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid;5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(5-carboxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 161013816
bis(carbon dioxide);5-[4-(carboxymethyl)-5-[3-(3-methyl-5-thiophen-2-ylthiophen-2-yl)phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 159365847
2-[2-[5-[3-(carboxymethyl)-5-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-(fluoromethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
CID 89436432
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
2-[5-[5-[2-(aminomethyl)phenyl]thiophen-2-yl]-2-[5-[5-[5-[2-(aminomethyl)phenyl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139420
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid (CID 90139364) is 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid is Cc1cc(-c2cccs2)sc1-c1ccc(-c2sccc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid?
The InChIKey is LAPYUFDAOFOFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2S4/c1-11-9-16(13-3-2-7-22-13)25-18(11)14-4-5-15(24-14)19-12(6-8-23-19)10-17(20)21/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid?
2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid has a molecular weight of 402.59 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid is sourced from PubChem (CID 90139364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).