N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide

C21H15N3O2S — CID 22261052

IUPACN-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C21H15N3O2S/c25-20(9-13-7-8-27-12-13)22-15-5-6-17-16(11-15)21(24-23-17)19-10-14-3-1-2-4-18(14)26-19/h1-8,10-12H,9H2,(H,22,25)(H,23,24)
InChIKeySZRLHLAQUPGGBM-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.22
Rot. Bonds4

About N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide

N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide (PubChem CID 22261052) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
PubChem CID22261052
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC NameN-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C21H15N3O2S/c25-20(9-13-7-8-27-12-13)22-15-5-6-17-16(11-15)21(24-23-17)19-10-14-3-1-2-4-18(14)26-19/h1-8,10-12H,9H2,(H,22,25)(H,23,24)
InChIKeySZRLHLAQUPGGBM-UHFFFAOYSA-N
XLogP5.22
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide (CID 22261052) is N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
The InChIKey is SZRLHLAQUPGGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20(9-13-7-8-27-12-13)22-15-5-6-17-16(11-15)21(24-23-17)19-10-14-3-1-2-4-18(14)26-19/h1-8,10-12H,9H2,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide has a molecular weight of 373.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 22261052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).