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

C25H28N2O4S2 — CID 43873186

IUPACN-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCSc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-19(21-8-12-23(32-2)13-9-21)27-25(28)18-31-22-10-14-24(15-11-22)33(29,30)26-17-16-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)
InChIKeyFTCAWWSPZBCBQY-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.19
Rot. Bonds11

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

N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 43873186) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID43873186
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC NameN-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCSc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-19(21-8-12-23(32-2)13-9-21)27-25(28)18-31-22-10-14-24(15-11-22)33(29,30)26-17-16-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)
InChIKeyFTCAWWSPZBCBQY-UHFFFAOYSA-N
XLogP4.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552366
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553139
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28552015
N-(2-methylpropyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126119881
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
2-[4-[(3-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554261
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552865
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42900557
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556860
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554554

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (CID 43873186) is N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is CSc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is FTCAWWSPZBCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-19(21-8-12-23(32-2)13-9-21)27-25(28)18-31-22-10-14-24(15-11-22)33(29,30)26-17-16-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28).
What are the key properties of N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 43873186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).