2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide

C18H19F2N3O6S — CID 5134545

IUPAC2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19F2N3O6S/c1-3-22(4-2)30(27,28)13-6-8-17(16(10-13)23(25)26)29-11-18(24)21-15-7-5-12(19)9-14(15)20/h5-10H,3-4,11H2,1-2H3,(H,21,24)
InChIKeyZPMAPDFAIRVZSB-UHFFFAOYSA-N
MW443.43 g/mol
LogP2.92
Rot. Bonds9

About 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide (PubChem CID 5134545) has the molecular formula C18H19F2N3O6S and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
PubChem CID5134545
Molecular FormulaC18H19F2N3O6S
Molecular Weight443.43 g/mol
Exact Mass443.10
IUPAC Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19F2N3O6S/c1-3-22(4-2)30(27,28)13-6-8-17(16(10-13)23(25)26)29-11-18(24)21-15-7-5-12(19)9-14(15)20/h5-10H,3-4,11H2,1-2H3,(H,21,24)
InChIKeyZPMAPDFAIRVZSB-UHFFFAOYSA-N
XLogP2.92
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 4215025
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135
N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 119407055
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2373388
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
CID 4234441
N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373387
N-(1,3-benzodioxol-5-yl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3283411
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
CID 5123407
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 27323109

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide (CID 5134545) is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is ZPMAPDFAIRVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O6S/c1-3-22(4-2)30(27,28)13-6-8-17(16(10-13)23(25)26)29-11-18(24)21-15-7-5-12(19)9-14(15)20/h5-10H,3-4,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide?
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 443.43 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 5134545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).