N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide

C26H19N3O2S — CID 69372233

IUPACN-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3cnn(C=Cc4cccs4)c3c2)c1)c1ccccc1
InChIInChI=1S/C26H19N3O2S/c30-26(19-6-2-1-3-7-19)28-21-8-4-9-22(16-21)31-23-12-11-20-18-27-29(25(20)17-23)14-13-24-10-5-15-32-24/h1-18H,(H,28,30)
InChIKeySZGIJBAQTFJLNF-UHFFFAOYSA-N
MW437.52 g/mol
LogP6.77
Rot. Bonds6

About N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide

N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide (PubChem CID 69372233) has the molecular formula C26H19N3O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide
PubChem CID69372233
Molecular FormulaC26H19N3O2S
Molecular Weight437.52 g/mol
Exact Mass437.12
IUPAC NameN-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3cnn(C=Cc4cccs4)c3c2)c1)c1ccccc1
InChIInChI=1S/C26H19N3O2S/c30-26(19-6-2-1-3-7-19)28-21-8-4-9-22(16-21)31-23-12-11-20-18-27-29(25(20)17-23)14-13-24-10-5-15-32-24/h1-18H,(H,28,30)
InChIKeySZGIJBAQTFJLNF-UHFFFAOYSA-N
XLogP6.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide?
The IUPAC name of N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide (CID 69372233) is N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide?
The canonical SMILES for N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide is O=C(Nc1cccc(Oc2ccc3cnn(C=Cc4cccs4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide?
The InChIKey is SZGIJBAQTFJLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2S/c30-26(19-6-2-1-3-7-19)28-21-8-4-9-22(16-21)31-23-12-11-20-18-27-29(25(20)17-23)14-13-24-10-5-15-32-24/h1-18H,(H,28,30).
What are the key properties of N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide?
N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-thiophen-2-ylethenyl)indazol-6-yl]oxyphenyl]benzamide is sourced from PubChem (CID 69372233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).