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

C23H24N2O4S2 — CID 30129121

IUPAC2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S2/c1-30-22-11-7-6-10-21(22)24-23(26)17-29-20-14-12-19(13-15-20)25(31(2,27)28)16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyNWLPNQMGKIJZHG-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.39
Rot. Bonds9

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

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 30129121) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID30129121
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S2/c1-30-22-11-7-6-10-21(22)24-23(26)17-29-20-14-12-19(13-15-20)25(31(2,27)28)16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyNWLPNQMGKIJZHG-UHFFFAOYSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
CID 30128918
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43888473
N-(2,6-difluorophenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130303
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)acetamide
CID 30129033
N-(2-benzoyl-4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888584

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide (CID 30129121) is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is NWLPNQMGKIJZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-30-22-11-7-6-10-21(22)24-23(26)17-29-20-14-12-19(13-15-20)25(31(2,27)28)16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.39, 9 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-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 30129121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).