2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide

C23H23ClN2O5S — CID 4531228

IUPAC2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-26(15-17-6-4-3-5-7-17)32(28,29)20-11-9-19(10-12-20)31-16-23(27)25-21-14-18(24)8-13-22(21)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyMREQXCHXNYYCMC-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.19
Rot. Bonds9

About 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 4531228) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID4531228
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-26(15-17-6-4-3-5-7-17)32(28,29)20-11-9-19(10-12-20)31-16-23(27)25-21-14-18(24)8-13-22(21)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyMREQXCHXNYYCMC-UHFFFAOYSA-N
XLogP4.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 126327645
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(2,6-dichlorophenyl)acetamide
CID 126328873
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 3652975
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
2-[4-(tert-butylsulfamoyl)phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126202386
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126315410
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 4531228) is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is MREQXCHXNYYCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-26(15-17-6-4-3-5-7-17)32(28,29)20-11-9-19(10-12-20)31-16-23(27)25-21-14-18(24)8-13-22(21)30-2/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 474.97 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 4531228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).