4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide

C17H18N2O2S — CID 24536163

IUPAC4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
SMILESCSCc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-22-12-14-7-9-15(10-8-14)17(21)19-18-16(20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyONXBARSYHACMJJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.55
Rot. Bonds5

About 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide

4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 24536163) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
PubChem CID24536163
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
SMILESCSCc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-22-12-14-7-9-15(10-8-14)17(21)19-18-16(20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyONXBARSYHACMJJ-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 7479678
N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 9479963
N'-[2-(1-adamantyl)acetyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 7978897
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide (CID 24536163) is 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide is CSCc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is ONXBARSYHACMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-22-12-14-7-9-15(10-8-14)17(21)19-18-16(20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide?
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 314.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 24536163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).