5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide

C18H22N2O3S — CID 24538754

IUPAC5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide
SMILESCCCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)sc1C
InChIInChI=1S/C18H22N2O3S/c1-4-6-14-10-16(24-13(14)3)18(22)20-19-17(21)11-23-15-8-5-7-12(2)9-15/h5,7-10H,4,6,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWKGPGLFLASBEFO-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.16
Rot. Bonds6

About 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide

5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide (PubChem CID 24538754) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide
PubChem CID24538754
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide
SMILESCCCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)sc1C
InChIInChI=1S/C18H22N2O3S/c1-4-6-14-10-16(24-13(14)3)18(22)20-19-17(21)11-23-15-8-5-7-12(2)9-15/h5,7-10H,4,6,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWKGPGLFLASBEFO-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.16
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-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684469
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
5-methyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 35768059
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7601142
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 3400798

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide (CID 24538754) is 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide is CCCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)sc1C.
What is the InChIKey of 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide?
The InChIKey is WKGPGLFLASBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-6-14-10-16(24-13(14)3)18(22)20-19-17(21)11-23-15-8-5-7-12(2)9-15/h5,7-10H,4,6,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide?
5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide has a molecular weight of 346.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide is sourced from PubChem (CID 24538754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).