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

C21H26N2O5S — CID 28552177

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-16(19-7-3-4-8-20(19)27-2)22-21(24)15-28-17-9-11-18(12-10-17)29(25,26)23-13-5-6-14-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyBMFAJPTVRNULKW-MRXNPFEDSA-N
MW418.52 g/mol
LogP2.74
Rot. Bonds8

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

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 28552177) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID28552177
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-16(19-7-3-4-8-20(19)27-2)22-21(24)15-28-17-9-11-18(12-10-17)29(25,26)23-13-5-6-14-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyBMFAJPTVRNULKW-MRXNPFEDSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554611
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
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552166
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
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
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28551884
N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4695524
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552888

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 28552177) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is BMFAJPTVRNULKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16(19-7-3-4-8-20(19)27-2)22-21(24)15-28-17-9-11-18(12-10-17)29(25,26)23-13-5-6-14-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.74, 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-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 28552177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).