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

C15H16N2O4S — CID 4942927

IUPACN'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O4S/c1-10(21-12-7-5-11(20-2)6-8-12)14(18)16-17-15(19)13-4-3-9-22-13/h3-10H,1-2H3,(H,16,18)(H,17,19)
InChIKeyUFPIHNHFUFNTMH-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.99
Rot. Bonds5

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

N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide (PubChem CID 4942927) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
PubChem CID4942927
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O4S/c1-10(21-12-7-5-11(20-2)6-8-12)14(18)16-17-15(19)13-4-3-9-22-13/h3-10H,1-2H3,(H,16,18)(H,17,19)
InChIKeyUFPIHNHFUFNTMH-UHFFFAOYSA-N
XLogP1.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.99
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-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24554534
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-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4961119
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 9479269
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17394875
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139
2-(4-methoxyphenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
CID 51327828

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide (CID 4942927) is N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide is COc1ccc(OC(C)C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is UFPIHNHFUFNTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10(21-12-7-5-11(20-2)6-8-12)14(18)16-17-15(19)13-4-3-9-22-13/h3-10H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide?
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 320.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4942927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).