2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid

C27H20N2O4S — CID 71157126

IUPAC2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid
SMILESNc1c(-c2ccc(-c3ccccc3)o2)cc(-c2cccs2)nc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C27H20N2O4S/c28-24-19(22-14-13-21(32-22)17-8-3-1-4-9-17)16-20(23-12-7-15-34-23)29-26(24)33-25(27(30)31)18-10-5-2-6-11-18/h1-16,25H,28H2,(H,30,31)
InChIKeySLLGDRJVLKBZRK-UHFFFAOYSA-N
MW468.53 g/mol
LogP6.52
Rot. Bonds7

About 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid

2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid (PubChem CID 71157126) has the molecular formula C27H20N2O4S and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid
PubChem CID71157126
Molecular FormulaC27H20N2O4S
Molecular Weight468.53 g/mol
Exact Mass468.11
IUPAC Name2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid
SMILESNc1c(-c2ccc(-c3ccccc3)o2)cc(-c2cccs2)nc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C27H20N2O4S/c28-24-19(22-14-13-21(32-22)17-8-3-1-4-9-17)16-20(23-12-7-15-34-23)29-26(24)33-25(27(30)31)18-10-5-2-6-11-18/h1-16,25H,28H2,(H,30,31)
InChIKeySLLGDRJVLKBZRK-UHFFFAOYSA-N
XLogP6.52
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid?
The IUPAC name of 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid (CID 71157126) is 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid?
The canonical SMILES for 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid is Nc1c(-c2ccc(-c3ccccc3)o2)cc(-c2cccs2)nc1OC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid?
The InChIKey is SLLGDRJVLKBZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O4S/c28-24-19(22-14-13-21(32-22)17-8-3-1-4-9-17)16-20(23-12-7-15-34-23)29-26(24)33-25(27(30)31)18-10-5-2-6-11-18/h1-16,25H,28H2,(H,30,31).
What are the key properties of 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid?
2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid has a molecular weight of 468.53 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid is sourced from PubChem (CID 71157126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).