2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide

C16H25N3O6S — CID 4234441

IUPAC2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H25N3O6S/c1-5-18(6-2)26(23,24)13-7-8-15(14(9-13)19(21)22)25-11-16(20)17-10-12(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,17,20)
InChIKeyOPNRUOAELMLAIU-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.78
Rot. Bonds10

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

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 4234441) has the molecular formula C16H25N3O6S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
PubChem CID4234441
Molecular FormulaC16H25N3O6S
Molecular Weight387.46 g/mol
Exact Mass387.15
IUPAC Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H25N3O6S/c1-5-18(6-2)26(23,24)13-7-8-15(14(9-13)19(21)22)25-11-16(20)17-10-12(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,17,20)
InChIKeyOPNRUOAELMLAIU-UHFFFAOYSA-N
XLogP1.78
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.78
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

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 4215025
N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 119407055
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
CID 5123407
N,N-diethyl-4-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 7680375
N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 27323109
N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 4811879
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
CID 5134545
N,N-diethyl-3-nitro-4-(3-oxobutoxy)benzenesulfonamide
CID 7569788
N-(1,3-benzodioxol-5-yl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3283411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide (CID 4234441) is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is OPNRUOAELMLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S/c1-5-18(6-2)26(23,24)13-7-8-15(14(9-13)19(21)22)25-11-16(20)17-10-12(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 1.78, 10 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-methylpropyl)acetamide is sourced from PubChem (CID 4234441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).