3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide

C15H16N2O3S — CID 7809007

IUPAC3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1sccc1C
InChIInChI=1S/C15H16N2O3S/c1-10-5-3-4-6-12(10)20-9-13(18)16-17-15(19)14-11(2)7-8-21-14/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQZMJURJEZOVTRO-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.20
Rot. Bonds4

About 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide

3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide (PubChem CID 7809007) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide
PubChem CID7809007
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1sccc1C
InChIInChI=1S/C15H16N2O3S/c1-10-5-3-4-6-12(10)20-9-13(18)16-17-15(19)14-11(2)7-8-21-14/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQZMJURJEZOVTRO-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 9470051
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 43175560
ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate
CID 2308890
(E)-4-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6171221
3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide
CID 4582933
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide (CID 7809007) is 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide?
The InChIKey is QZMJURJEZOVTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-5-3-4-6-12(10)20-9-13(18)16-17-15(19)14-11(2)7-8-21-14/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide?
3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide has a molecular weight of 304.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 7809007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).