2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide

C24H26N2O4S — CID 30128820

IUPAC2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-19-8-10-20(11-9-19)16-25-24(27)18-30-23-14-12-22(13-15-23)26(31(2,28)29)17-21-6-4-3-5-7-21/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyBDCFAFZTZHQUQR-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.66
Rot. Bonds9

About 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 30128820) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID30128820
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-19-8-10-20(11-9-19)16-25-24(27)18-30-23-14-12-22(13-15-23)26(31(2,28)29)17-21-6-4-3-5-7-21/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyBDCFAFZTZHQUQR-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129288
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 30129310
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30131113
N-benzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131110
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129262
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 126031440
N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129266
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-phenylethyl)acetamide
CID 17247484
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 30129351
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide (CID 30128820) is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is BDCFAFZTZHQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-19-8-10-20(11-9-19)16-25-24(27)18-30-23-14-12-22(13-15-23)26(31(2,28)29)17-21-6-4-3-5-7-21/h3-15H,16-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 30128820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).