N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide

C15H16N2O3S — CID 4931633

IUPACN'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCc1ccccc1OC(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-10-6-3-4-7-12(10)20-11(2)14(18)16-17-15(19)13-8-5-9-21-13/h3-9,11H,1-2H3,(H,16,18)(H,17,19)
InChIKeyKGUWUYFARMYKTB-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.29
Rot. Bonds4

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

N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide (PubChem CID 4931633) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
PubChem CID4931633
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCc1ccccc1OC(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-10-6-3-4-7-12(10)20-11(2)14(18)16-17-15(19)13-8-5-9-21-13/h3-9,11H,1-2H3,(H,16,18)(H,17,19)
InChIKeyKGUWUYFARMYKTB-UHFFFAOYSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.29
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-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4961119
N'-[2-(3-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931321
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N-[2-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25490349
N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24554534
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 9237641
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7910846
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
CID 4010185
1-methyl-3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]thiourea
CID 40648931
N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723
(2S)-N'-[(2R)-2-(2-methylphenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757616
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide (CID 4931633) is N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide is Cc1ccccc1OC(C)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is KGUWUYFARMYKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-6-3-4-7-12(10)20-11(2)14(18)16-17-15(19)13-8-5-9-21-13/h3-9,11H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide?
N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 304.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4931633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).