2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide

C18H20Cl2N2O4S — CID 4046445

IUPAC2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-2-3-10-21-27(24,25)15-7-5-14(6-8-15)26-12-18(23)22-13-4-9-16(19)17(20)11-13/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyXIFVXMWBYIUSGM-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.09
Rot. Bonds9

About 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide

2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 4046445) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
PubChem CID4046445
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-2-3-10-21-27(24,25)15-7-5-14(6-8-15)26-12-18(23)22-13-4-9-16(19)17(20)11-13/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyXIFVXMWBYIUSGM-UHFFFAOYSA-N
XLogP4.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126210637
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
CID 17482935
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
2-(4-ethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932605
2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide
CID 28554069
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28554061
N-(3,4-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732949
ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45375322
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide (CID 4046445) is 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide is CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is XIFVXMWBYIUSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-2-3-10-21-27(24,25)15-7-5-14(6-8-15)26-12-18(23)22-13-4-9-16(19)17(20)11-13/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23).
What are the key properties of 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 431.34 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 4046445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).