N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide

C19H24N2O5S — CID 8624005

IUPACN'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-25-16-8-10-18(11-9-16)27(23,24)21-20-19(22)15-6-5-7-17(12-15)26-13-14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,20,22)
InChIKeyWIQUDYGKDZTXOZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.74
Rot. Bonds9

About N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide

N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide (PubChem CID 8624005) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
PubChem CID8624005
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-25-16-8-10-18(11-9-16)27(23,24)21-20-19(22)15-6-5-7-17(12-15)26-13-14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,20,22)
InChIKeyWIQUDYGKDZTXOZ-UHFFFAOYSA-N
XLogP2.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 4957755
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
CID 155558104
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
CID 9244251
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide
CID 2692792
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide (CID 8624005) is N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide?
The InChIKey is WIQUDYGKDZTXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-25-16-8-10-18(11-9-16)27(23,24)21-20-19(22)15-6-5-7-17(12-15)26-13-14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide?
N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide has a molecular weight of 392.48 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 8624005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).