4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide

C16H16N2O3S — CID 2958278

IUPAC4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-13-9-7-12(8-10-13)16(20)18-17-15(19)11-22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOQEHKKZVQQJRJL-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.25
Rot. Bonds5

About 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide

4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide (PubChem CID 2958278) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
PubChem CID2958278
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-13-9-7-12(8-10-13)16(20)18-17-15(19)11-22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOQEHKKZVQQJRJL-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The IUPAC name of 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide (CID 2958278) is 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The canonical SMILES for 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The InChIKey is OQEHKKZVQQJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-21-13-9-7-12(8-10-13)16(20)18-17-15(19)11-22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide has a molecular weight of 316.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide is sourced from PubChem (CID 2958278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).