3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide

C19H24N2O6S — CID 9243942

IUPAC3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O6S/c1-4-27-15-7-9-16(10-8-15)28(23,24)21-20-19(22)12-6-14-5-11-17(25-2)18(13-14)26-3/h5,7-11,13,21H,4,6,12H2,1-3H3,(H,20,22)
InChIKeyXXUWEZWPUSXLCW-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.04
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide

3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide (PubChem CID 9243942) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
PubChem CID9243942
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O6S/c1-4-27-15-7-9-16(10-8-15)28(23,24)21-20-19(22)12-6-14-5-11-17(25-2)18(13-14)26-3/h5,7-11,13,21H,4,6,12H2,1-3H3,(H,20,22)
InChIKeyXXUWEZWPUSXLCW-UHFFFAOYSA-N
XLogP2.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 2797423
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
CID 4143684

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide (CID 9243942) is 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)CCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
The InChIKey is XXUWEZWPUSXLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-4-27-15-7-9-16(10-8-15)28(23,24)21-20-19(22)12-6-14-5-11-17(25-2)18(13-14)26-3/h5,7-11,13,21H,4,6,12H2,1-3H3,(H,20,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide has a molecular weight of 408.48 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 9243942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).