2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

C25H28N2O6S — CID 28552551

IUPAC2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H28N2O6S/c1-18(20-9-14-23(31-2)24(15-20)32-3)27-25(28)17-33-21-10-12-22(13-11-21)34(29,30)26-16-19-7-5-4-6-8-19/h4-15,18,26H,16-17H2,1-3H3,(H,27,28)/t18-/m0/s1
InChIKeyIHDBWTFJAFEICF-SFHVURJKSA-N
MW484.57 g/mol
LogP3.44
Rot. Bonds11

About 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 28552551) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID28552551
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H28N2O6S/c1-18(20-9-14-23(31-2)24(15-20)32-3)27-25(28)17-33-21-10-12-22(13-11-21)34(29,30)26-16-19-7-5-4-6-8-19/h4-15,18,26H,16-17H2,1-3H3,(H,27,28)/t18-/m0/s1
InChIKeyIHDBWTFJAFEICF-SFHVURJKSA-N
XLogP3.44
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553112
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28555152
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873363
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43888474
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128717
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128720
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 28552551) is 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is IHDBWTFJAFEICF-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-18(20-9-14-23(31-2)24(15-20)32-3)27-25(28)17-33-21-10-12-22(13-11-21)34(29,30)26-16-19-7-5-4-6-8-19/h4-15,18,26H,16-17H2,1-3H3,(H,27,28)/t18-/m0/s1.
What are the key properties of 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28552551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).