2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

C25H34N2O6S — CID 28554919

IUPAC2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1OC
InChIInChI=1S/C25H34N2O6S/c1-17-14-21(34(29,30)27-20-8-6-5-7-9-20)11-13-22(17)33-16-25(28)26-18(2)19-10-12-23(31-3)24(15-19)32-4/h10-15,18,20,27H,5-9,16H2,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyUMAAPSCPPKHMJA-GOSISDBHSA-N
MW490.62 g/mol
LogP3.88
Rot. Bonds10

About 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 28554919) has the molecular formula C25H34N2O6S and a molecular weight of 490.62 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID28554919
Molecular FormulaC25H34N2O6S
Molecular Weight490.62 g/mol
Exact Mass490.21
IUPAC Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1OC
InChIInChI=1S/C25H34N2O6S/c1-17-14-21(34(29,30)27-20-8-6-5-7-9-20)11-13-22(17)33-16-25(28)26-18(2)19-10-12-23(31-3)24(15-19)32-4/h10-15,18,20,27H,5-9,16H2,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyUMAAPSCPPKHMJA-GOSISDBHSA-N
XLogP3.88
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554766
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555570
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28551866
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28556105
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873588
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555218
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 28554919) is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1OC.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is UMAAPSCPPKHMJA-GOSISDBHSA-N. The full InChI is InChI=1S/C25H34N2O6S/c1-17-14-21(34(29,30)27-20-8-6-5-7-9-20)11-13-22(17)33-16-25(28)26-18(2)19-10-12-23(31-3)24(15-19)32-4/h10-15,18,20,27H,5-9,16H2,1-4H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 490.62 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28554919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).