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

C25H28N2O5S — CID 30129288

IUPACN-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-4-6-21(7-5-19)17-27(33(3,29)30)22-10-14-24(15-11-22)32-18-25(28)26-16-20-8-12-23(31-2)13-9-20/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyCMHBQWMFEBYJLP-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.67
Rot. Bonds10

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

N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30129288) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30129288
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-4-6-21(7-5-19)17-27(33(3,29)30)22-10-14-24(15-11-22)32-18-25(28)26-16-20-8-12-23(31-2)13-9-20/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyCMHBQWMFEBYJLP-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(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-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129262
N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129266
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 30129351
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 99961185
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
N-benzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131110

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30129288) is N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide is COc1ccc(CNC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is CMHBQWMFEBYJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19-4-6-21(7-5-19)17-27(33(3,29)30)22-10-14-24(15-11-22)32-18-25(28)26-16-20-8-12-23(31-2)13-9-20/h4-15H,16-18H2,1-3H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30129288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).