N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide

C20H25N3O6S — CID 26891825

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C20H25N3O6S/c1-5-22(6-2)30(27,28)15-11-12-19(29-7-3)17(13-15)21-20(24)16-9-8-10-18(14(16)4)23(25)26/h8-13H,5-7H2,1-4H3,(H,21,24)
InChIKeyADWLIFWTXYFNPU-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.58
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide (PubChem CID 26891825) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
PubChem CID26891825
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C20H25N3O6S/c1-5-22(6-2)30(27,28)15-11-12-19(29-7-3)17(13-15)21-20(24)16-9-8-10-18(14(16)4)23(25)26/h8-13H,5-7H2,1-4H3,(H,21,24)
InChIKeyADWLIFWTXYFNPU-UHFFFAOYSA-N
XLogP3.58
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.58
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'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-nitrobenzamide
CID 108786368
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
2-methyl-N-(2-methyl-5-methylsulfonylphenyl)-3-nitrobenzamide
CID 27990756
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962374
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257773

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide (CID 26891825) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide?
The InChIKey is ADWLIFWTXYFNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-5-22(6-2)30(27,28)15-11-12-19(29-7-3)17(13-15)21-20(24)16-9-8-10-18(14(16)4)23(25)26/h8-13H,5-7H2,1-4H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide has a molecular weight of 435.50 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 26891825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).