3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

C19H22N2O3S — CID 9418079

IUPAC3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-6-8-17(9-7-14)25-13-19(23)21-20-18(22)10-11-24-16-5-3-4-15(2)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVTWHKFOJRSOIGM-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.01
Rot. Bonds7

About 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (PubChem CID 9418079) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
PubChem CID9418079
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-6-8-17(9-7-14)25-13-19(23)21-20-18(22)10-11-24-16-5-3-4-15(2)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVTWHKFOJRSOIGM-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.01
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

3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 18273997
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 40649593
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46810946
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751
4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
CID 26311228
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (CID 9418079) is 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is Cc1ccc(SCC(=O)NNC(=O)CCOc2cccc(C)c2)cc1.
What is the InChIKey of 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is VTWHKFOJRSOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-6-8-17(9-7-14)25-13-19(23)21-20-18(22)10-11-24-16-5-3-4-15(2)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 358.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 9418079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).