2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide

C26H30N2O4S — CID 30129351

IUPAC2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O4S/c1-19(2)22-9-11-23(12-10-22)27-26(29)18-32-25-15-13-24(14-16-25)28(33(4,30)31)17-21-7-5-20(3)6-8-21/h5-16,19H,17-18H2,1-4H3,(H,27,29)
InChIKeyJETQQXBLORYAHB-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.10
Rot. Bonds9

About 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide

2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 30129351) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID30129351
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O4S/c1-19(2)22-9-11-23(12-10-22)27-26(29)18-32-25-15-13-24(14-16-25)28(33(4,30)31)17-21-7-5-20(3)6-8-21/h5-16,19H,17-18H2,1-4H3,(H,27,29)
InChIKeyJETQQXBLORYAHB-UHFFFAOYSA-N
XLogP5.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-fluorophenyl)acetamide
CID 30129813
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129669
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30129863
N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247535
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 30129784
N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129288
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129262
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
N-(4-bromophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247509
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129266

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide (CID 30129351) is 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide is Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is JETQQXBLORYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19(2)22-9-11-23(12-10-22)27-26(29)18-32-25-15-13-24(14-16-25)28(33(4,30)31)17-21-7-5-20(3)6-8-21/h5-16,19H,17-18H2,1-4H3,(H,27,29).
What are the key properties of 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 466.60 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 30129351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).