5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide

C29H21N3O3S — CID 134143273

IUPAC5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)s1
InChIInChI=1S/C29H21N3O3S/c1-18(33)26-14-15-27(36-26)29(35)30-22-9-5-8-20(16-22)28(34)21-11-12-23-24(31-32-25(23)17-21)13-10-19-6-3-2-4-7-19/h2-17H,1H3,(H,30,35)(H,31,32)/b13-10+
InChIKeyLAACBLUYVSYDTE-JLHYYAGUSA-N
MW491.57 g/mol
LogP6.48
Rot. Bonds7

About 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide

5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 134143273) has the molecular formula C29H21N3O3S and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID134143273
Molecular FormulaC29H21N3O3S
Molecular Weight491.57 g/mol
Exact Mass491.13
IUPAC Name5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)s1
InChIInChI=1S/C29H21N3O3S/c1-18(33)26-14-15-27(36-26)29(35)30-22-9-5-8-20(16-22)28(34)21-11-12-23-24(31-32-25(23)17-21)13-10-19-6-3-2-4-7-19/h2-17H,1H3,(H,30,35)(H,31,32)/b13-10+
InChIKeyLAACBLUYVSYDTE-JLHYYAGUSA-N
XLogP6.48
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)acetamido)-1H-indazol-3-yl)vinyl)phenyl)piperazine-1-carboxamide
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N-(6-methyl-3-(phenylethynyl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
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N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
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N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]benzamide
CID 21877540
5-acetyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 22978186
N-(3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 23583059
N-(6-methyl-3-styryl-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide (CID 134143273) is 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)s1.
What is the InChIKey of 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is LAACBLUYVSYDTE-JLHYYAGUSA-N. The full InChI is InChI=1S/C29H21N3O3S/c1-18(33)26-14-15-27(36-26)29(35)30-22-9-5-8-20(16-22)28(34)21-11-12-23-24(31-32-25(23)17-21)13-10-19-6-3-2-4-7-19/h2-17H,1H3,(H,30,35)(H,31,32)/b13-10+.
What are the key properties of 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?
5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 6.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 134143273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).