2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide

C18H20Cl2N2O4S — CID 126263338

IUPAC2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(2)10-21-27(24,25)15-6-7-17(16(20)9-15)26-11-18(23)22-14-5-3-4-13(19)8-14/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyRIKPJCQUCJGCPM-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.95
Rot. Bonds8

About 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide

2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide (PubChem CID 126263338) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
PubChem CID126263338
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(2)10-21-27(24,25)15-6-7-17(16(20)9-15)26-11-18(23)22-14-5-3-4-13(19)8-14/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyRIKPJCQUCJGCPM-UHFFFAOYSA-N
XLogP3.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide (CID 126263338) is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide?
The InChIKey is RIKPJCQUCJGCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-12(2)10-21-27(24,25)15-6-7-17(16(20)9-15)26-11-18(23)22-14-5-3-4-13(19)8-14/h3-9,12,21H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide?
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide has a molecular weight of 431.34 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 126263338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).