N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide

C23H30N2O5S — CID 28554611

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-17-12-14-25(15-13-17)31(27,28)20-10-8-19(9-11-20)30-16-23(26)24-18(2)21-6-4-5-7-22(21)29-3/h4-11,17-18H,12-16H2,1-3H3,(H,24,26)/t18-/m0/s1
InChIKeyWISMLHREDCEBAT-SFHVURJKSA-N
MW446.57 g/mol
LogP3.37
Rot. Bonds8

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide (PubChem CID 28554611) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
PubChem CID28554611
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-17-12-14-25(15-13-17)31(27,28)20-10-8-19(9-11-20)30-16-23(26)24-18(2)21-6-4-5-7-22(21)29-3/h4-11,17-18H,12-16H2,1-3H3,(H,24,26)/t18-/m0/s1
InChIKeyWISMLHREDCEBAT-SFHVURJKSA-N
XLogP3.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552177
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 43873496
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28551884
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873374
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28555089
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555285
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554635
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552888
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552166

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide (CID 28554611) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide is COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
The InChIKey is WISMLHREDCEBAT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17-12-14-25(15-13-17)31(27,28)20-10-8-19(9-11-20)30-16-23(26)24-18(2)21-6-4-5-7-22(21)29-3/h4-11,17-18H,12-16H2,1-3H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide is sourced from PubChem (CID 28554611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).