N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide

C16H16N2O4S — CID 24554534

IUPACN'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCC(=O)c1ccc(OC(C)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-10(19)12-5-7-13(8-6-12)22-11(2)15(20)17-18-16(21)14-4-3-9-23-14/h3-9,11H,1-2H3,(H,17,20)(H,18,21)
InChIKeyMKPMMXSEUPQYKY-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.18
Rot. Bonds5

About N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide

N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide (PubChem CID 24554534) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
PubChem CID24554534
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCC(=O)c1ccc(OC(C)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-10(19)12-5-7-13(8-6-12)22-11(2)15(20)17-18-16(21)14-4-3-9-23-14/h3-9,11H,1-2H3,(H,17,20)(H,18,21)
InChIKeyMKPMMXSEUPQYKY-UHFFFAOYSA-N
XLogP2.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 9237641
N'-[2-(3-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931321
N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931633
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4961119
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide (CID 24554534) is N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide is CC(=O)c1ccc(OC(C)C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is MKPMMXSEUPQYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10(19)12-5-7-13(8-6-12)22-11(2)15(20)17-18-16(21)14-4-3-9-23-14/h3-9,11H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide?
N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 332.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 24554534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).