4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide

C20H23FN2O4S — CID 9417984

IUPAC4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CSc2ccccc2F)cc1OC
InChIInChI=1S/C20H23FN2O4S/c1-3-4-11-27-16-10-9-14(12-17(16)26-2)20(25)23-22-19(24)13-28-18-8-6-5-7-15(18)21/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHBSOYFZNKINGIA-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.57
Rot. Bonds9

About 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide

4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide (PubChem CID 9417984) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
PubChem CID9417984
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CSc2ccccc2F)cc1OC
InChIInChI=1S/C20H23FN2O4S/c1-3-4-11-27-16-10-9-14(12-17(16)26-2)20(25)23-22-19(24)13-28-18-8-6-5-7-15(18)21/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHBSOYFZNKINGIA-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
CID 9418010
4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
CID 30933321
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide (CID 9417984) is 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)CSc2ccccc2F)cc1OC.
What is the InChIKey of 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
The InChIKey is HBSOYFZNKINGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-3-4-11-27-16-10-9-14(12-17(16)26-2)20(25)23-22-19(24)13-28-18-8-6-5-7-15(18)21/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide has a molecular weight of 406.48 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 9417984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).