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

C24H15FO4S5 — CID 67991306

IUPAC2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CC(=O)O)s1
InChIInChI=1S/C24H15FO4S5/c25-20-6-5-15(32-20)19-9-13(11-22(28)29)24(34-19)17-4-3-16(31-17)23-12(10-21(26)27)8-18(33-23)14-2-1-7-30-14/h1-9H,10-11H2,(H,26,27)(H,28,29)
InChIKeyMTWUIZFUPDHLEV-UHFFFAOYSA-N
MW546.71 g/mol
LogP8.06
Rot. Bonds8

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

2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid (PubChem CID 67991306) has the molecular formula C24H15FO4S5 and a molecular weight of 546.71 g/mol. Its IUPAC name is 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
PubChem CID67991306
Molecular FormulaC24H15FO4S5
Molecular Weight546.71 g/mol
Exact Mass545.96
IUPAC Name2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CC(=O)O)s1
InChIInChI=1S/C24H15FO4S5/c25-20-6-5-15(32-20)19-9-13(11-22(28)29)24(34-19)17-4-3-16(31-17)23-12(10-21(26)27)8-18(33-23)14-2-1-7-30-14/h1-9H,10-11H2,(H,26,27)(H,28,29)
InChIKeyMTWUIZFUPDHLEV-UHFFFAOYSA-N
XLogP8.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid (CID 67991306) is 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-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-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid is O=C(O)Cc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
The InChIKey is MTWUIZFUPDHLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FO4S5/c25-20-6-5-15(32-20)19-9-13(11-22(28)29)24(34-19)17-4-3-16(31-17)23-12(10-21(26)27)8-18(33-23)14-2-1-7-30-14/h1-9H,10-11H2,(H,26,27)(H,28,29).
What are the key properties of 2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid?
2-[2-[5-[3-(carboxymethyl)-5-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid has a molecular weight of 546.71 g/mol, XLogP of 8.06, 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-(5-fluorothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid is sourced from PubChem (CID 67991306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).