3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide

C22H22N2O6S — CID 55466162

IUPAC3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N2O6S/c1-2-16-8-6-7-11-19(16)30-14-20(25)23-24-22(26)21-17(12-13-29-21)15-31(27,28)18-9-4-3-5-10-18/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyUCLFJUIKKCVXCH-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.66
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide

3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide (PubChem CID 55466162) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide
PubChem CID55466162
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N2O6S/c1-2-16-8-6-7-11-19(16)30-14-20(25)23-24-22(26)21-17(12-13-29-21)15-31(27,28)18-9-4-3-5-10-18/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyUCLFJUIKKCVXCH-UHFFFAOYSA-N
XLogP2.66
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.66
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

3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
CID 46665405
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 56552534
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466660
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide
CID 86898374
3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 35131631

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide (CID 55466162) is 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide is CCc1ccccc1OCC(=O)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide?
The InChIKey is UCLFJUIKKCVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-2-16-8-6-7-11-19(16)30-14-20(25)23-24-22(26)21-17(12-13-29-21)15-31(27,28)18-9-4-3-5-10-18/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide?
3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide has a molecular weight of 442.49 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 55466162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).