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

C22H15N3OS2 — CID 68998416

IUPACN-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)c1cc2sccc2s1
InChIInChI=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)
InChIKeyIUUZHYWIYTXIOG-UHFFFAOYSA-N
MW401.52 g/mol
LogP6.26
Rot. Bonds4

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

N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 68998416) has the molecular formula C22H15N3OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID68998416
Molecular FormulaC22H15N3OS2
Molecular Weight401.52 g/mol
Exact Mass401.07
IUPAC NameN-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)c1cc2sccc2s1
InChIInChI=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)
InChIKeyIUUZHYWIYTXIOG-UHFFFAOYSA-N
XLogP6.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.52
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide (CID 68998416) is N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)c1cc2sccc2s1.
What is the InChIKey of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is IUUZHYWIYTXIOG-UHFFFAOYSA-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).
What are the key properties of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[2-[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-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 68998416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).