2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide

C22H23N3O6S — CID 137065174

IUPAC2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C22H23N3O6S/c1-2-30-20-12-6-8-17(22(20)27)14-23-24-21(26)16-25(15-18-9-7-13-31-18)32(28,29)19-10-4-3-5-11-19/h3-14,27H,2,15-16H2,1H3,(H,24,26)/b23-14-
InChIKeyGSIILYYIUBGDEL-UCQKPKSFSA-N
MW457.51 g/mol
LogP2.73
Rot. Bonds10

About 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 137065174) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID137065174
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C22H23N3O6S/c1-2-30-20-12-6-8-17(22(20)27)14-23-24-21(26)16-25(15-18-9-7-13-31-18)32(28,29)19-10-4-3-5-11-19/h3-14,27H,2,15-16H2,1H3,(H,24,26)/b23-14-
InChIKeyGSIILYYIUBGDEL-UCQKPKSFSA-N
XLogP2.73
TPSA121.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 136793453
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 94847262
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 137065260
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 25251468
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137157567
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 94847274
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 137065178
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6256260
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 94846766
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3733371
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4626601
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide (CID 137065174) is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide is CCOc1cccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1O.
What is the InChIKey of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is GSIILYYIUBGDEL-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-2-30-20-12-6-8-17(22(20)27)14-23-24-21(26)16-25(15-18-9-7-13-31-18)32(28,29)19-10-4-3-5-11-19/h3-14,27H,2,15-16H2,1H3,(H,24,26)/b23-14-.
What are the key properties of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 457.51 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137065174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).