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

C20H14BrN3OS — CID 68999664

IUPAC5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)c1ccc(Br)s1
InChIInChI=1S/C20H14BrN3OS/c21-19-12-11-18(26-19)20(25)22-15-7-3-1-5-13(15)9-10-17-14-6-2-4-8-16(14)23-24-17/h1-12H,(H,22,25)(H,23,24)
InChIKeyHVSLLSQAASAREX-UHFFFAOYSA-N
MW424.32 g/mol
LogP5.81
Rot. Bonds4

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

5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide (PubChem CID 68999664) has the molecular formula C20H14BrN3OS and a molecular weight of 424.32 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
PubChem CID68999664
Molecular FormulaC20H14BrN3OS
Molecular Weight424.32 g/mol
Exact Mass423.00
IUPAC Name5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)c1ccc(Br)s1
InChIInChI=1S/C20H14BrN3OS/c21-19-12-11-18(26-19)20(25)22-15-7-3-1-5-13(15)9-10-17-14-6-2-4-8-16(14)23-24-17/h1-12H,(H,22,25)(H,23,24)
InChIKeyHVSLLSQAASAREX-UHFFFAOYSA-N
XLogP5.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.32
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide
CID 68999169
5-acetamido-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
CID 68999027
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 68998412
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 68998416
4-bromo-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 69000757
4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
CID 86628199
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
CID 68999306
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
CID 68999694
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]benzenesulfonamide
CID 69002102
4-[(E)-2-(1H-indazol-3-yl)ethenyl]-3-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 68999288
3-[2-(2-methylphenyl)ethenyl]-1H-indazole
CID 69049104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide (CID 68999664) is 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide?
The InChIKey is HVSLLSQAASAREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3OS/c21-19-12-11-18(26-19)20(25)22-15-7-3-1-5-13(15)9-10-17-14-6-2-4-8-16(14)23-24-17/h1-12H,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide?
5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide has a molecular weight of 424.32 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 68999664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).