2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide

C17H18N2O3S — CID 40649593

IUPAC2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CSc2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-13-6-5-7-14(10-13)22-11-16(20)18-19-17(21)12-23-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyVKXJKOSUOXCZFB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.31
Rot. Bonds6

About 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide

2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide (PubChem CID 40649593) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
PubChem CID40649593
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CSc2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-13-6-5-7-14(10-13)22-11-16(20)18-19-17(21)12-23-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyVKXJKOSUOXCZFB-UHFFFAOYSA-N
XLogP2.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.31
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-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 9418079
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
2-(3-methylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 3493807
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 7943215

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The IUPAC name of 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide (CID 40649593) is 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide.
What is the SMILES notation for 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The canonical SMILES for 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide is Cc1cccc(OCC(=O)NNC(=O)CSc2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The InChIKey is VKXJKOSUOXCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13-6-5-7-14(10-13)22-11-16(20)18-19-17(21)12-23-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide has a molecular weight of 330.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide is sourced from PubChem (CID 40649593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).