2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide

C11H16N2OS — CID 116846235

IUPAC2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide
SMILESCCSc1ccc(CC(=O)NNC)cc1
InChIInChI=1S/C11H16N2OS/c1-3-15-10-6-4-9(5-7-10)8-11(14)13-12-2/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyYBICAAIQKFUNJJ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.59
Rot. Bonds5

About 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide

2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide (PubChem CID 116846235) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide
PubChem CID116846235
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide
SMILESCCSc1ccc(CC(=O)NNC)cc1
InChIInChI=1S/C11H16N2OS/c1-3-15-10-6-4-9(5-7-10)8-11(14)13-12-2/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyYBICAAIQKFUNJJ-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide
CID 116849699
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 166317775
2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
CID 119774122
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine
CID 44613926
4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
2-(ethylamino)-N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 115158053
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
N-[2-(4-ethylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115175935

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide (CID 116846235) is 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide is CCSc1ccc(CC(=O)NNC)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide?
The InChIKey is YBICAAIQKFUNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-15-10-6-4-9(5-7-10)8-11(14)13-12-2/h4-7,12H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide?
2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide has a molecular weight of 224.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide is sourced from PubChem (CID 116846235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).