2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide

C25H28N2O5S — CID 43888473

IUPAC2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19(21-9-13-23(31-2)14-10-21)26-25(28)18-32-24-15-11-22(12-16-24)27(33(3,29)30)17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyATDYGIWQEGFSEL-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.92
Rot. Bonds10

About 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 43888473) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID43888473
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19(21-9-13-23(31-2)14-10-21)26-25(28)18-32-24-15-11-22(12-16-24)27(33(3,29)30)17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyATDYGIWQEGFSEL-UHFFFAOYSA-N
XLogP3.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30130551
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43888474
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide
CID 43888656
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 28561063
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130081
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 30129121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide (CID 43888473) is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is ATDYGIWQEGFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19(21-9-13-23(31-2)14-10-21)26-25(28)18-32-24-15-11-22(12-16-24)27(33(3,29)30)17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide?
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.92, 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-[1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43888473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).