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

C24H26N2O5S — CID 30128830

IUPAC2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-30-22-12-8-19(9-13-22)16-25-24(27)18-31-23-14-10-21(11-15-23)26(32(2,28)29)17-20-6-4-3-5-7-20/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyXCAKFLDYDPDALY-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.36
Rot. Bonds10

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

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 30128830) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID30128830
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-30-22-12-8-19(9-13-22)16-25-24(27)18-31-23-14-10-21(11-15-23)26(32(2,28)29)17-20-6-4-3-5-7-20/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyXCAKFLDYDPDALY-UHFFFAOYSA-N
XLogP3.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylphenyl)methyl]acetamide
CID 30128820
N-benzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131110
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43888473
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108
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-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
CID 113067176
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 30129121
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (CID 30128830) is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is XCAKFLDYDPDALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-30-22-12-8-19(9-13-22)16-25-24(27)18-31-23-14-10-21(11-15-23)26(32(2,28)29)17-20-6-4-3-5-7-20/h3-15H,16-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30128830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).