N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide

C22H20Cl2N2O4S — CID 122189458

IUPACN-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c23-18-5-1-16(2-6-18)13-25-22(27)15-30-20-9-11-21(12-10-20)31(28,29)26-14-17-3-7-19(24)8-4-17/h1-12,26H,13-15H2,(H,25,27)
InChIKeyDVMXCDWAXJJRJA-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.17
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide (PubChem CID 122189458) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide
PubChem CID122189458
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c23-18-5-1-16(2-6-18)13-25-22(27)15-30-20-9-11-21(12-10-20)31(28,29)26-14-17-3-7-19(24)8-4-17/h1-12,26H,13-15H2,(H,25,27)
InChIKeyDVMXCDWAXJJRJA-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide (CID 122189458) is N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide?
The InChIKey is DVMXCDWAXJJRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c23-18-5-1-16(2-6-18)13-25-22(27)15-30-20-9-11-21(12-10-20)31(28,29)26-14-17-3-7-19(24)8-4-17/h1-12,26H,13-15H2,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide has a molecular weight of 479.39 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 122189458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).