N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide

C22H21N3O7S — CID 4931088

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H21N3O7S/c1-2-31-18-11-7-17(8-12-18)24-33(29,30)19-13-9-16(10-14-19)23-22(26)15-32-21-6-4-3-5-20(21)25(27)28/h3-14,24H,2,15H2,1H3,(H,23,26)
InChIKeyODXJQJAECGWLFG-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.81
Rot. Bonds10

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 4931088) has the molecular formula C22H21N3O7S and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
PubChem CID4931088
Molecular FormulaC22H21N3O7S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H21N3O7S/c1-2-31-18-11-7-17(8-12-18)24-33(29,30)19-13-9-16(10-14-19)23-22(26)15-32-21-6-4-3-5-20(21)25(27)28/h3-14,24H,2,15H2,1H3,(H,23,26)
InChIKeyODXJQJAECGWLFG-UHFFFAOYSA-N
XLogP3.81
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.81
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

N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide (CID 4931088) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is ODXJQJAECGWLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O7S/c1-2-31-18-11-7-17(8-12-18)24-33(29,30)19-13-9-16(10-14-19)23-22(26)15-32-21-6-4-3-5-20(21)25(27)28/h3-14,24H,2,15H2,1H3,(H,23,26).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 471.49 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 4931088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).