N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide

C18H20N2O3S — CID 7979451

IUPACN'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(CSC)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-23-16-10-8-15(9-11-16)18(22)20-19-17(21)14-6-4-13(5-7-14)12-24-2/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNAPDDUMFPQVGDY-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.02
Rot. Bonds6

About N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide

N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide (PubChem CID 7979451) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
PubChem CID7979451
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(CSC)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-23-16-10-8-15(9-11-16)18(22)20-19-17(21)14-6-4-13(5-7-14)12-24-2/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNAPDDUMFPQVGDY-UHFFFAOYSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.02
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

N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 7479678
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
CID 24536163
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 55835190

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide (CID 7979451) is N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(CSC)cc2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide?
The InChIKey is NAPDDUMFPQVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-23-16-10-8-15(9-11-16)18(22)20-19-17(21)14-6-4-13(5-7-14)12-24-2/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide?
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide has a molecular weight of 344.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 7979451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).