2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

C25H28N2O5S — CID 28553480

IUPAC2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-17-13-18(2)15-21(14-17)27-33(29,30)24-11-9-23(10-12-24)32-16-25(28)26-19(3)20-5-7-22(31-4)8-6-20/h5-15,19,27H,16H2,1-4H3,(H,26,28)/t19-/m1/s1
InChIKeyGBQXKDFZNOTTAT-LJQANCHMSA-N
MW468.58 g/mol
LogP4.37
Rot. Bonds9

About 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 28553480) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID28553480
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-17-13-18(2)15-21(14-17)27-33(29,30)24-11-9-23(10-12-24)32-16-25(28)26-19(3)20-5-7-22(31-4)8-6-20/h5-15,19,27H,16H2,1-4H3,(H,26,28)/t19-/m1/s1
InChIKeyGBQXKDFZNOTTAT-LJQANCHMSA-N
XLogP4.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401893
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553030
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554170
2-[4-[(3-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554261
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28551866
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553112
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873363

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (CID 28553480) is 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is GBQXKDFZNOTTAT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17-13-18(2)15-21(14-17)27-33(29,30)24-11-9-23(10-12-24)32-16-25(28)26-19(3)20-5-7-22(31-4)8-6-20/h5-15,19,27H,16H2,1-4H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28553480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).