2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide

C15H22N4O7S — CID 4815313

IUPAC2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C(=O)NC(=O)NC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O7S/c1-5-18(6-2)27(24,25)11-7-8-13(12(9-11)19(22)23)26-10(3)14(20)17-15(21)16-4/h7-10H,5-6H2,1-4H3,(H2,16,17,20,21)
InChIKeyQNWKLCYYPVEMBO-UHFFFAOYSA-N
MW402.43 g/mol
LogP0.85
Rot. Bonds8

About 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 4815313) has the molecular formula C15H22N4O7S and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID4815313
Molecular FormulaC15H22N4O7S
Molecular Weight402.43 g/mol
Exact Mass402.12
IUPAC Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C(=O)NC(=O)NC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O7S/c1-5-18(6-2)27(24,25)11-7-8-13(12(9-11)19(22)23)26-10(3)14(20)17-15(21)16-4/h7-10H,5-6H2,1-4H3,(H2,16,17,20,21)
InChIKeyQNWKLCYYPVEMBO-UHFFFAOYSA-N
XLogP0.85
TPSA147.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 50.85
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'}

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Related Compounds

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide
CID 4819372
4-[(1S)-1-cyanoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 7546658
2-(4-cyano-2-nitrophenoxy)-N-(methylcarbamoyl)propanamide
CID 115595440
N,N-diethyl-4-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 7680375
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
CID 4234441
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 7784744
N,N-diethyl-3-nitro-4-(3-oxobutoxy)benzenesulfonamide
CID 7569788
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
CID 5123407
N,N-diethyl-4-[(1S)-1-(4-fluorophenyl)ethoxy]-3-nitrobenzenesulfonamide
CID 7546717
N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43277695

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide (CID 4815313) is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C(=O)NC(=O)NC)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is QNWKLCYYPVEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O7S/c1-5-18(6-2)27(24,25)11-7-8-13(12(9-11)19(22)23)26-10(3)14(20)17-15(21)16-4/h7-10H,5-6H2,1-4H3,(H2,16,17,20,21).
What are the key properties of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide?
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 402.43 g/mol, XLogP of 0.85, 8 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-(methylcarbamoyl)propanamide is sourced from PubChem (CID 4815313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).