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

C23H32N2O6S — CID 28554766

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1OC
InChIInChI=1S/C23H32N2O6S/c1-15(2)13-24-32(27,28)19-8-10-20(16(3)11-19)31-14-23(26)25-17(4)18-7-9-21(29-5)22(12-18)30-6/h7-12,15,17,24H,13-14H2,1-6H3,(H,25,26)/t17-/m0/s1
InChIKeyANKZQQAFEUAGMC-KRWDZBQOSA-N
MW464.58 g/mol
LogP3.20
Rot. Bonds11

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

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 28554766) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
PubChem CID28554766
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1OC
InChIInChI=1S/C23H32N2O6S/c1-15(2)13-24-32(27,28)19-8-10-20(16(3)11-19)31-14-23(26)25-17(4)18-7-9-21(29-5)22(12-18)30-6/h7-12,15,17,24H,13-14H2,1-6H3,(H,25,26)/t17-/m0/s1
InChIKeyANKZQQAFEUAGMC-KRWDZBQOSA-N
XLogP3.20
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide with MolForge

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555570
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28554919
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554792
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906385
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28555152
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555218
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28552551

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (CID 28554766) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1OC.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is ANKZQQAFEUAGMC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-15(2)13-24-32(27,28)19-8-10-20(16(3)11-19)31-14-23(26)25-17(4)18-7-9-21(29-5)22(12-18)30-6/h7-12,15,17,24H,13-14H2,1-6H3,(H,25,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 464.58 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 28554766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).