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

C16H24N4O7S — CID 5123407

IUPAC2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N4O7S/c1-4-9-17-16(22)18-15(21)11-27-14-8-7-12(10-13(14)20(23)24)28(25,26)19(5-2)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,17,18,21,22)
InChIKeyKMGIHQPFXJFLHA-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.24
Rot. Bonds10

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

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide (PubChem CID 5123407) has the molecular formula C16H24N4O7S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
PubChem CID5123407
Molecular FormulaC16H24N4O7S
Molecular Weight416.46 g/mol
Exact Mass416.14
IUPAC Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N4O7S/c1-4-9-17-16(22)18-15(21)11-27-14-8-7-12(10-13(14)20(23)24)28(25,26)19(5-2)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,17,18,21,22)
InChIKeyKMGIHQPFXJFLHA-UHFFFAOYSA-N
XLogP1.24
TPSA147.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 27323109
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 119407055
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
CID 4234441
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 4215025
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135
N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
N-(butylcarbamoyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 27457451
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
CID 5134545
N,N-diethyl-3-nitro-4-(3-oxobutoxy)benzenesulfonamide
CID 7569788
2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide
CID 9184627
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-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide (CID 5123407) is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-].
What is the InChIKey of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide?
The InChIKey is KMGIHQPFXJFLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O7S/c1-4-9-17-16(22)18-15(21)11-27-14-8-7-12(10-13(14)20(23)24)28(25,26)19(5-2)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,17,18,21,22).
What are the key properties of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide?
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide has a molecular weight of 416.46 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 5123407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).