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

C17H26N4O7S — CID 27323109

IUPACN-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C17H26N4O7S/c1-4-7-10-18-17(23)19-16(22)12-28-15-9-8-13(11-14(15)21(24)25)29(26,27)20(5-2)6-3/h8-9,11H,4-7,10,12H2,1-3H3,(H2,18,19,22,23)
InChIKeyPNMQFTSTSZZOEX-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.63
Rot. Bonds11

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

N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide (PubChem CID 27323109) has the molecular formula C17H26N4O7S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
PubChem CID27323109
Molecular FormulaC17H26N4O7S
Molecular Weight430.48 g/mol
Exact Mass430.15
IUPAC NameN-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C17H26N4O7S/c1-4-7-10-18-17(23)19-16(22)12-28-15-9-8-13(11-14(15)21(24)25)29(26,27)20(5-2)6-3/h8-9,11H,4-7,10,12H2,1-3H3,(H2,18,19,22,23)
InChIKeyPNMQFTSTSZZOEX-UHFFFAOYSA-N
XLogP1.63
TPSA147.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.63
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

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
CID 5123407
N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 119407055
N-(butylcarbamoyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 27457451
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
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
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

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide (CID 27323109) is N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide is CCCCNC(=O)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-].
What is the InChIKey of N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The InChIKey is PNMQFTSTSZZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O7S/c1-4-7-10-18-17(23)19-16(22)12-28-15-9-8-13(11-14(15)21(24)25)29(26,27)20(5-2)6-3/h8-9,11H,4-7,10,12H2,1-3H3,(H2,18,19,22,23).
What are the key properties of N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide has a molecular weight of 430.48 g/mol, XLogP of 1.63, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide is sourced from PubChem (CID 27323109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).