N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide

C19H24N2O3S — CID 9479298

IUPACN'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)14-8-10-15(11-9-14)24-12-4-7-17(22)20-21-18(23)16-6-5-13-25-16/h5-6,8-11,13H,4,7,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXURUMUPGTNRNNC-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.67
Rot. Bonds6

About N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide

N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide (PubChem CID 9479298) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide
PubChem CID9479298
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)14-8-10-15(11-9-14)24-12-4-7-17(22)20-21-18(23)16-6-5-13-25-16/h5-6,8-11,13H,4,7,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXURUMUPGTNRNNC-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-bromo-N'-[4-(4-tert-butylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31421381
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 25162016
2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 4564846
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide (CID 9479298) is N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide is CC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide?
The InChIKey is XURUMUPGTNRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)14-8-10-15(11-9-14)24-12-4-7-17(22)20-21-18(23)16-6-5-13-25-16/h5-6,8-11,13H,4,7,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide?
N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide has a molecular weight of 360.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9479298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).