4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide

C21H26N2O4S — CID 24553439

IUPAC4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)C(C)Sc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4S/c1-4-5-13-27-18-12-11-16(14-19(18)26-3)21(25)23-22-20(24)15(2)28-17-9-7-6-8-10-17/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUIWPLMIRMQINBH-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.82
Rot. Bonds9

About 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide

4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide (PubChem CID 24553439) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
PubChem CID24553439
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)C(C)Sc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4S/c1-4-5-13-27-18-12-11-16(14-19(18)26-3)21(25)23-22-20(24)15(2)28-17-9-7-6-8-10-17/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUIWPLMIRMQINBH-UHFFFAOYSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.82
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

N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9496112
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984
N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24553444
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889507
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide?
The IUPAC name of 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide (CID 24553439) is 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide.
What is the SMILES notation for 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide?
The canonical SMILES for 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)C(C)Sc2ccccc2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide?
The InChIKey is UIWPLMIRMQINBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-5-13-27-18-12-11-16(14-19(18)26-3)21(25)23-22-20(24)15(2)28-17-9-7-6-8-10-17/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide?
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide has a molecular weight of 402.52 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide is sourced from PubChem (CID 24553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).