2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid

C35H25ClO4S7 — CID 121380598

IUPAC2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid
SMILESCc1cc(CC(=O)O)c(-c2ccc(-c3sc(-c4ccc(-c5cc(CC(=O)O)c(-c6ccc(-c7sc(Cl)cc7C)s6)s5)s4)cc3C)s2)s1
InChIInChI=1S/C35H25ClO4S7/c1-16-10-27(45-32(16)23-6-8-25(43-23)34-19(14-30(37)38)12-18(3)41-34)21-4-5-22(42-21)28-13-20(15-31(39)40)35(46-28)26-9-7-24(44-26)33-17(2)11-29(36)47-33/h4-13H,14-15H2,1-3H3,(H,37,38)(H,39,40)
InChIKeyKJIIHFRAMVENML-UHFFFAOYSA-N
MW769.50 g/mol
LogP12.95
Rot. Bonds10

About 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid

2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid (PubChem CID 121380598) has the molecular formula C35H25ClO4S7 and a molecular weight of 769.50 g/mol. Its IUPAC name is 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid
PubChem CID121380598
Molecular FormulaC35H25ClO4S7
Molecular Weight769.50 g/mol
Exact Mass767.95
IUPAC Name2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid
SMILESCc1cc(CC(=O)O)c(-c2ccc(-c3sc(-c4ccc(-c5cc(CC(=O)O)c(-c6ccc(-c7sc(Cl)cc7C)s6)s5)s4)cc3C)s2)s1
InChIInChI=1S/C35H25ClO4S7/c1-16-10-27(45-32(16)23-6-8-25(43-23)34-19(14-30(37)38)12-18(3)41-34)21-4-5-22(42-21)28-13-20(15-31(39)40)35(46-28)26-9-7-24(44-26)33-17(2)11-29(36)47-33/h4-13H,14-15H2,1-3H3,(H,37,38)(H,39,40)
InChIKeyKJIIHFRAMVENML-UHFFFAOYSA-N
XLogP12.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.50
LogP ≤ 512.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid with MolForge

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Related Compounds

2-[5-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-2-[5-[5-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139417
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-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
CID 121380604
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-(formyloxymethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid
CID 88544697
2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139364
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-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
CID 142689227
2-[3-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-[5-(3-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]acetic acid
CID 121380597
2-[2-[5-[3-(carboxymethyl)-5-(4-methylsulfanylphenyl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylsulfanylphenyl)thiophen-3-yl]acetic acid
CID 144508779

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid (CID 121380598) is 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid is Cc1cc(CC(=O)O)c(-c2ccc(-c3sc(-c4ccc(-c5cc(CC(=O)O)c(-c6ccc(-c7sc(Cl)cc7C)s6)s5)s4)cc3C)s2)s1.
What is the InChIKey of 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid?
The InChIKey is KJIIHFRAMVENML-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25ClO4S7/c1-16-10-27(45-32(16)23-6-8-25(43-23)34-19(14-30(37)38)12-18(3)41-34)21-4-5-22(42-21)28-13-20(15-31(39)40)35(46-28)26-9-7-24(44-26)33-17(2)11-29(36)47-33/h4-13H,14-15H2,1-3H3,(H,37,38)(H,39,40).
What are the key properties of 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid?
2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid has a molecular weight of 769.50 g/mol, XLogP of 12.95, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid is sourced from PubChem (CID 121380598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).