N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide

C16H17BrN2O3S — CID 4961119

IUPACN'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C16H17BrN2O3S/c1-9-7-12(17)8-10(2)14(9)22-11(3)15(20)18-19-16(21)13-5-4-6-23-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyGOMFLETYCMEPJS-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.36
Rot. Bonds4

About N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide

N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide (PubChem CID 4961119) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
PubChem CID4961119
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C16H17BrN2O3S/c1-9-7-12(17)8-10(2)14(9)22-11(3)15(20)18-19-16(21)13-5-4-6-23-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyGOMFLETYCMEPJS-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931633
N'-[2-(3-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931321
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24554534
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 9237641
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide
CID 4961190
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 4961108
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 40771211
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4961122

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide (CID 4961119) is N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide is Cc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is GOMFLETYCMEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-9-7-12(17)8-10(2)14(9)22-11(3)15(20)18-19-16(21)13-5-4-6-23-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 397.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4961119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).