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

C24H16O4S5 — CID 45254028

IUPAC2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3cccs3)cc2CC(=O)O)s1
InChIInChI=1S/C24H16O4S5/c25-21(26)11-13-9-19(15-3-1-7-29-15)32-23(13)17-5-6-18(31-17)24-14(12-22(27)28)10-20(33-24)16-4-2-8-30-16/h1-10H,11-12H2,(H,25,26)(H,27,28)
InChIKeyZTXNDJKFPQSLBF-UHFFFAOYSA-N
MW528.72 g/mol
LogP7.92
Rot. Bonds8

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

2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid (PubChem CID 45254028) has the molecular formula C24H16O4S5 and a molecular weight of 528.72 g/mol. Its IUPAC name is 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
PubChem CID45254028
Molecular FormulaC24H16O4S5
Molecular Weight528.72 g/mol
Exact Mass527.97
IUPAC Name2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3cccs3)cc2CC(=O)O)s1
InChIInChI=1S/C24H16O4S5/c25-21(26)11-13-9-19(15-3-1-7-29-15)32-23(13)17-5-6-18(31-17)24-14(12-22(27)28)10-20(33-24)16-4-2-8-30-16/h1-10H,11-12H2,(H,25,26)(H,27,28)
InChIKeyZTXNDJKFPQSLBF-UHFFFAOYSA-N
XLogP7.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.72
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139364
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
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
2-[2-[5-[3-(carboxymethyl)-5-(1-ethenylsulfanylethenyl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid;ethane;methanol;propane
CID 143976137
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
5-[4-(carboxymethyl)-5-[4-(3-methyl-5-thiophen-2-ylthiophen-2-yl)phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 90139378
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
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
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
(2S)-2-[[2-(2,5-dithiophen-2-ylthiophen-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 46946302
benzyl 2-[2,5-bis[4-octyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetate
CID 101055827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid (CID 45254028) is 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid is O=C(O)Cc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3cccs3)cc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
The InChIKey is ZTXNDJKFPQSLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O4S5/c25-21(26)11-13-9-19(15-3-1-7-29-15)32-23(13)17-5-6-18(31-17)24-14(12-22(27)28)10-20(33-24)16-4-2-8-30-16/h1-10H,11-12H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid has a molecular weight of 528.72 g/mol, XLogP of 7.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid is sourced from PubChem (CID 45254028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).