2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide

C23H25N3O6S — CID 4819372

IUPAC2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C23H25N3O6S/c1-4-25(5-2)33(30,31)18-13-14-22(21(15-18)26(28)29)32-16(3)23(27)24-20-12-8-10-17-9-6-7-11-19(17)20/h6-16H,4-5H2,1-3H3,(H,24,27)
InChIKeyMEYZGXGZWYXFQK-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.18
Rot. Bonds9

About 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide (PubChem CID 4819372) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide
PubChem CID4819372
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C23H25N3O6S/c1-4-25(5-2)33(30,31)18-13-14-22(21(15-18)26(28)29)32-16(3)23(27)24-20-12-8-10-17-9-6-7-11-19(17)20/h6-16H,4-5H2,1-3H3,(H,24,27)
InChIKeyMEYZGXGZWYXFQK-UHFFFAOYSA-N
XLogP4.18
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.18
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'}

Analyze 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide 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

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide
CID 4815313
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521809
4-[(1S)-1-cyanoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 7546658
N,N-diethyl-3-nitro-4-(3-oxobutoxy)benzenesulfonamide
CID 7569788
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
N,N-diethyl-4-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 7680375
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135
N,N-diethyl-4-[(1S)-1-(4-fluorophenyl)ethoxy]-3-nitrobenzenesulfonamide
CID 7546717
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
CID 4234441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide (CID 4819372) is 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide?
The InChIKey is MEYZGXGZWYXFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-4-25(5-2)33(30,31)18-13-14-22(21(15-18)26(28)29)32-16(3)23(27)24-20-12-8-10-17-9-6-7-11-19(17)20/h6-16H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide?
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide has a molecular weight of 471.54 g/mol, XLogP of 4.18, 9 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-naphthalen-1-ylpropanamide is sourced from PubChem (CID 4819372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).