N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide

C15H24N4O6S — CID 119407055

IUPACN-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C15H24N4O6S/c1-3-18(4-2)26(23,24)12-6-7-14(13(10-12)19(21)22)25-11-15(20)17-9-5-8-16/h6-7,10H,3-5,8-9,11,16H2,1-2H3,(H,17,20)
InChIKeyRXXBQJMLRJNCIV-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.47
Rot. Bonds11

About N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide

N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide (PubChem CID 119407055) has the molecular formula C15H24N4O6S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
PubChem CID119407055
Molecular FormulaC15H24N4O6S
Molecular Weight388.45 g/mol
Exact Mass388.14
IUPAC NameN-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C15H24N4O6S/c1-3-18(4-2)26(23,24)12-6-7-14(13(10-12)19(21)22)25-11-15(20)17-9-5-8-16/h6-7,10H,3-5,8-9,11,16H2,1-2H3,(H,17,20)
InChIKeyRXXBQJMLRJNCIV-UHFFFAOYSA-N
XLogP0.47
TPSA144.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 27323109
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]-N-(propylcarbamoyl)acetamide
CID 5123407
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135
N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
CID 5134545
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841
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
N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 4811879

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The IUPAC name of N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide (CID 119407055) is N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide is CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCCN)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The InChIKey is RXXBQJMLRJNCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O6S/c1-3-18(4-2)26(23,24)12-6-7-14(13(10-12)19(21)22)25-11-15(20)17-9-5-8-16/h6-7,10H,3-5,8-9,11,16H2,1-2H3,(H,17,20).
What are the key properties of N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide has a molecular weight of 388.45 g/mol, XLogP of 0.47, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide is sourced from PubChem (CID 119407055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).