N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide

C26H18N4O2S3 — CID 59024181

IUPACN'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)C(=O)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C26H18N4O2S3/c31-25(27-14-18-7-8-22(34-18)21-6-3-9-33-21)26(32)29-17-10-16-13-28-30-24(16)19(12-17)23-11-15-4-1-2-5-20(15)35-23/h1-13H,14H2,(H,27,31)(H,28,30)(H,29,32)
InChIKeyXDNREPCCUIJIJR-UHFFFAOYSA-N
MW514.66 g/mol
LogP6.49
Rot. Bonds5

About N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide

N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide (PubChem CID 59024181) has the molecular formula C26H18N4O2S3 and a molecular weight of 514.66 g/mol. Its IUPAC name is N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide
PubChem CID59024181
Molecular FormulaC26H18N4O2S3
Molecular Weight514.66 g/mol
Exact Mass514.06
IUPAC NameN'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)C(=O)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C26H18N4O2S3/c31-25(27-14-18-7-8-22(34-18)21-6-3-9-33-21)26(32)29-17-10-16-13-28-30-24(16)19(12-17)23-11-15-4-1-2-5-20(15)35-23/h1-13H,14H2,(H,27,31)(H,28,30)(H,29,32)
InChIKeyXDNREPCCUIJIJR-UHFFFAOYSA-N
XLogP6.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.66
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide (CID 59024181) is N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide is O=C(NCc1ccc(-c2cccs2)s1)C(=O)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide?
The InChIKey is XDNREPCCUIJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2S3/c31-25(27-14-18-7-8-22(34-18)21-6-3-9-33-21)26(32)29-17-10-16-13-28-30-24(16)19(12-17)23-11-15-4-1-2-5-20(15)35-23/h1-13H,14H2,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide?
N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide has a molecular weight of 514.66 g/mol, XLogP of 6.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 59024181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).