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

C23H30N2O5S — CID 28551866

IUPAC2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-17(18-8-10-20(29-2)11-9-18)24-23(26)16-30-21-12-14-22(15-13-21)31(27,28)25-19-6-4-3-5-7-19/h8-15,17,19,25H,3-7,16H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyIULYEELRWNINML-QGZVFWFLSA-N
MW446.57 g/mol
LogP3.56
Rot. Bonds9

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

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 28551866) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID28551866
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-17(18-8-10-20(29-2)11-9-18)24-23(26)16-30-21-12-14-22(15-13-21)31(27,28)25-19-6-4-3-5-7-19/h8-15,17,19,25H,3-7,16H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyIULYEELRWNINML-QGZVFWFLSA-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

N-[1-(4-bromophenyl)ethyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 43873215
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28551884
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 28551898
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553030
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28553480
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28554919
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (CID 28551866) is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is IULYEELRWNINML-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17(18-8-10-20(29-2)11-9-18)24-23(26)16-30-21-12-14-22(15-13-21)31(27,28)25-19-6-4-3-5-7-19/h8-15,17,19,25H,3-7,16H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-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-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28551866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).