N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide

C19H22N4O3S — CID 162670742

IUPACN'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12)NO
InChIInChI=1S/C19H22N4O3S/c24-17(5-3-1-2-4-6-18(25)23-26)20-19-15-8-7-13(11-16(15)21-22-19)14-9-10-27-12-14/h7-12,26H,1-6H2,(H,23,25)(H2,20,21,22,24)
InChIKeyDGACHWPRSSQBRX-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.08
Rot. Bonds9

About N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide

N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide (PubChem CID 162670742) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide
PubChem CID162670742
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12)NO
InChIInChI=1S/C19H22N4O3S/c24-17(5-3-1-2-4-6-18(25)23-26)20-19-15-8-7-13(11-16(15)21-22-19)14-9-10-27-12-14/h7-12,26H,1-6H2,(H,23,25)(H2,20,21,22,24)
InChIKeyDGACHWPRSSQBRX-UHFFFAOYSA-N
XLogP4.08
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide (CID 162670742) is N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide is O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12)NO.
What is the InChIKey of N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide?
The InChIKey is DGACHWPRSSQBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-17(5-3-1-2-4-6-18(25)23-26)20-19-15-8-7-13(11-16(15)21-22-19)14-9-10-27-12-14/h7-12,26H,1-6H2,(H,23,25)(H2,20,21,22,24).
What are the key properties of N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide?
N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide has a molecular weight of 386.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide is sourced from PubChem (CID 162670742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).