N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide

C23H21N5O4S — CID 55505919

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O4S/c1-2-31-17-11-6-7-12-18(17)32-15-20(29)25-26-23(30)21-24-22(19-13-8-14-33-19)28(27-21)16-9-4-3-5-10-16/h3-14H,2,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyOIHRFPKRSQJTNM-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.23
Rot. Bonds8

About N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide (PubChem CID 55505919) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
PubChem CID55505919
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O4S/c1-2-31-17-11-6-7-12-18(17)32-15-20(29)25-26-23(30)21-24-22(19-13-8-14-33-19)28(27-21)16-9-4-3-5-10-16/h3-14H,2,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyOIHRFPKRSQJTNM-UHFFFAOYSA-N
XLogP3.23
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylanilino)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505843
N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-[(2-ethoxy-4-pyridinyl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55707504
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52584333
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 86825664
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 18145886
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778
methyl 2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]-2-phenylacetate
CID 60610067
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 18289313

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide (CID 55505919) is N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is OIHRFPKRSQJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-2-31-17-11-6-7-12-18(17)32-15-20(29)25-26-23(30)21-24-22(19-13-8-14-33-19)28(27-21)16-9-4-3-5-10-16/h3-14H,2,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 463.52 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 55505919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).