3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide

C23H24N2O7S — CID 46665405

IUPAC3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O7S/c1-3-30-18-9-11-19(12-10-18)32-16(2)22(26)24-25-23(27)21-17(13-14-31-21)15-33(28,29)20-7-5-4-6-8-20/h4-14,16H,3,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXDTUMCDNCNDRAL-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.88
Rot. Bonds9

About 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide

3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide (PubChem CID 46665405) has the molecular formula C23H24N2O7S and a molecular weight of 472.52 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
PubChem CID46665405
Molecular FormulaC23H24N2O7S
Molecular Weight472.52 g/mol
Exact Mass472.13
IUPAC Name3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O7S/c1-3-30-18-9-11-19(12-10-18)32-16(2)22(26)24-25-23(27)21-17(13-14-31-21)15-33(28,29)20-7-5-4-6-8-20/h4-14,16H,3,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXDTUMCDNCNDRAL-UHFFFAOYSA-N
XLogP2.88
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 55466162
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
(2S)-2-(4-ethoxyphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 8960553
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55611522
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
[3-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 52522344
[3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 52522345
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide (CID 46665405) is 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide?
The InChIKey is XDTUMCDNCNDRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7S/c1-3-30-18-9-11-19(12-10-18)32-16(2)22(26)24-25-23(27)21-17(13-14-31-21)15-33(28,29)20-7-5-4-6-8-20/h4-14,16H,3,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide?
3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide has a molecular weight of 472.52 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide is sourced from PubChem (CID 46665405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).