N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide

C22H15N3OS2 — CID 68998412

About N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 68998412) has the molecular formula C22H15N3OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
• PubChem CID: 68998412
• Molecular Formula: C22H15N3OS2
• Molecular Weight: 401.52 g/mol
• Exact Mass: 401.07
• IUPAC Name: N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
• SMILES: O=C(Nc1ccccc1/C=C/c1n[nH]c2ccccc12)c1cc2sccc2s1
• InChI: InChI=1S/C22H15N3OS2/c26-22(21-13-20-19(28-21)11-12-27-20)23-16-7-3-1-5-14(16)9-10-18-15-6-2-4-8-17(15)24-25-18/h1-13H,(H,23,26)(H,24,25)/b10-9+
• InChIKey: IUUZHYWIYTXIOG-MDZDMXLPSA-N
• XLogP: 6.26
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.52
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?

The IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide (CID 68998412) is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide.

What is the SMILES notation for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?

The canonical SMILES for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(Nc1ccccc1/C=C/c1n[nH]c2ccccc12)c1cc2sccc2s1.

What is the InChIKey of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?

The InChIKey is IUUZHYWIYTXIOG-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H15N3OS2/c26-22(21-13-20-19(28-21)11-12-27-20)23-16-7-3-1-5-14(16)9-10-18-15-6-2-4-8-17(15)24-25-18/h1-13H,(H,23,26)(H,24,25)/b10-9+.

What are the key properties of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 401.52 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 68998412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).