N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide

C26H26FN3O4S — CID 2421625

IUPACN-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C26H26FN3O4S/c1-3-29(4-2)35(32,33)23-14-12-21(13-15-23)30-17-19-8-5-6-11-24(19)26(30)28-25(31)18-34-22-10-7-9-20(27)16-22/h5-16H,3-4,17-18H2,1-2H3/b28-26+
InChIKeySLKGMKVVTWSRQQ-BYCLXTJYSA-N
MW495.58 g/mol
LogP4.23
Rot. Bonds8

About N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide

N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide (PubChem CID 2421625) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide
PubChem CID2421625
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC NameN-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C26H26FN3O4S/c1-3-29(4-2)35(32,33)23-14-12-21(13-15-23)30-17-19-8-5-6-11-24(19)26(30)28-25(31)18-34-22-10-7-9-20(27)16-22/h5-16H,3-4,17-18H2,1-2H3/b28-26+
InChIKeySLKGMKVVTWSRQQ-BYCLXTJYSA-N
XLogP4.23
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
2-(3-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 26896390
2-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472181
N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704407
4-(3-amino-1H-isoindol-2-ium-2-yl)-N,N-diethylbenzenesulfonamide
CID 2380373
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
4-chloro-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 3971175

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide (CID 2421625) is N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide?
The InChIKey is SLKGMKVVTWSRQQ-BYCLXTJYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-3-29(4-2)35(32,33)23-14-12-21(13-15-23)30-17-19-8-5-6-11-24(19)26(30)28-25(31)18-34-22-10-7-9-20(27)16-22/h5-16H,3-4,17-18H2,1-2H3/b28-26+.
What are the key properties of N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide?
N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide has a molecular weight of 495.58 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 2421625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).