4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide

C22H28N2O6S — CID 46490716

IUPAC4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-5-6-13-30-19-12-9-17(14-20(19)29-4)22(26)24-23-21(25)16-7-10-18(11-8-16)31(27,28)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDENJFAWQJJOLGQ-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.13
Rot. Bonds9

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

4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 46490716) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
PubChem CID46490716
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-5-6-13-30-19-12-9-17(14-20(19)29-4)22(26)24-23-21(25)16-7-10-18(11-8-16)31(27,28)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDENJFAWQJJOLGQ-UHFFFAOYSA-N
XLogP3.13
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 26621722
4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
CID 55812224
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide (CID 46490716) is 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is DENJFAWQJJOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-5-6-13-30-19-12-9-17(14-20(19)29-4)22(26)24-23-21(25)16-7-10-18(11-8-16)31(27,28)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide?
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 448.54 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 46490716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).