N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C22H28N2O5S — CID 28555089

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-16-14-18(30(26,27)24-12-6-7-13-24)10-11-20(16)29-15-22(25)23-17(2)19-8-4-5-9-21(19)28-3/h4-5,8-11,14,17H,6-7,12-13,15H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyAZQGODNMQSXXOS-QGZVFWFLSA-N
MW432.54 g/mol
LogP3.04
Rot. Bonds8

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 28555089) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID28555089
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-16-14-18(30(26,27)24-12-6-7-13-24)10-11-20(16)29-15-22(25)23-17(2)19-8-4-5-9-21(19)28-3/h4-5,8-11,14,17H,6-7,12-13,15H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyAZQGODNMQSXXOS-QGZVFWFLSA-N
XLogP3.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555285
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552177
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873667
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28555099
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
2-(4-chloro-2-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7936549
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554611
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 28555089) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is AZQGODNMQSXXOS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-14-18(30(26,27)24-12-6-7-13-24)10-11-20(16)29-15-22(25)23-17(2)19-8-4-5-9-21(19)28-3/h4-5,8-11,14,17H,6-7,12-13,15H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 432.54 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 28555089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).