N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

C19H22FN3O4S — CID 7704407

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CO/N=C\c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O4S/c1-3-23(4-2)28(25,26)18-10-8-17(9-11-18)22-19(24)14-27-21-13-15-6-5-7-16(20)12-15/h5-13H,3-4,14H2,1-2H3,(H,22,24)/b21-13-
InChIKeyQREUJFGZHGJVOA-BKUYFWCQSA-N
MW407.47 g/mol
LogP2.85
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7704407) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7704407
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CO/N=C\c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O4S/c1-3-23(4-2)28(25,26)18-10-8-17(9-11-18)22-19(24)14-27-21-13-15-6-5-7-16(20)12-15/h5-13H,3-4,14H2,1-2H3,(H,22,24)/b21-13-
InChIKeyQREUJFGZHGJVOA-BKUYFWCQSA-N
XLogP2.85
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704359
N-(4-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
CID 7919493
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7704490
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
N,N-diethyl-4-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6160791
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 7704407) is N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CO/N=C\c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is QREUJFGZHGJVOA-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-3-23(4-2)28(25,26)18-10-8-17(9-11-18)22-19(24)14-27-21-13-15-6-5-7-16(20)12-15/h5-13H,3-4,14H2,1-2H3,(H,22,24)/b21-13-.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 407.47 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).