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

C23H23ClN2O4S — CID 1210580

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)
InChIKeyWIYIPGMVHHSYMD-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.56
Rot. Bonds10

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

N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 1210580) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID1210580
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)
InChIKeyWIYIPGMVHHSYMD-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (CID 1210580) is N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is WIYIPGMVHHSYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 458.97 g/mol, XLogP of 3.56, 10 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-(2-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1210580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).