2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C23H30N2O5S — CID 28551884

IUPAC2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-17(21-10-6-7-11-22(21)29-2)24-23(26)16-30-19-12-14-20(15-13-19)31(27,28)25-18-8-4-3-5-9-18/h6-7,10-15,17-18,25H,3-5,8-9,16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyMXWNRZSYERIKJX-KRWDZBQOSA-N
MW446.57 g/mol
LogP3.56
Rot. Bonds9

About 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28551884) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID28551884
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-17(21-10-6-7-11-22(21)29-2)24-23(26)16-30-19-12-14-20(15-13-19)31(27,28)25-18-8-4-3-5-9-18/h6-7,10-15,17-18,25H,3-5,8-9,16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyMXWNRZSYERIKJX-KRWDZBQOSA-N
XLogP3.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclohexylsulfamoyl)phenyl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 43873814
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28556105
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28551866
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552888
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552177
2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873475
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553191
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554611
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 28551898
N-[1-(4-bromophenyl)ethyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 43873215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28551884) is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is MXWNRZSYERIKJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17(21-10-6-7-11-22(21)29-2)24-23(26)16-30-19-12-14-20(15-13-19)31(27,28)25-18-8-4-3-5-9-18/h6-7,10-15,17-18,25H,3-5,8-9,16H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28551884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).