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

C25H28N2O5S — CID 4197939

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19(21-6-4-3-5-7-21)27-33(29,30)24-14-12-23(13-15-24)32-18-25(28)26-17-16-20-8-10-22(31-2)11-9-20/h3-15,19,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyQTOZLNCQXFRGLB-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.47
Rot. Bonds11

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

N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 4197939) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID4197939
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19(21-6-4-3-5-7-21)27-33(29,30)24-14-12-23(13-15-24)32-18-25(28)26-17-16-20-8-10-22(31-2)11-9-20/h3-15,19,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyQTOZLNCQXFRGLB-UHFFFAOYSA-N
XLogP3.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 42563714
N-(2-methoxyethyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4548292
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
N-[(4-methylphenyl)methyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4270828
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927410
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide (CID 4197939) is N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is QTOZLNCQXFRGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19(21-6-4-3-5-7-21)27-33(29,30)24-14-12-23(13-15-24)32-18-25(28)26-17-16-20-8-10-22(31-2)11-9-20/h3-15,19,27H,16-18H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 4197939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).