2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide

C25H28N2O6S — CID 55328930

IUPAC2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccccc3OC)cc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-4-32-21-13-15-23(16-14-21)34(29,30)27(2)20-9-11-22(12-10-20)33-18-25(28)26-17-19-7-5-6-8-24(19)31-3/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyHKKUVTIBJZVGEB-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.61
Rot. Bonds11

About 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 55328930) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID55328930
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccccc3OC)cc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-4-32-21-13-15-23(16-14-21)34(29,30)27(2)20-9-11-22(12-10-20)33-18-25(28)26-17-19-7-5-6-8-24(19)31-3/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyHKKUVTIBJZVGEB-UHFFFAOYSA-N
XLogP3.61
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280039
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 42989070
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide
CID 24581647
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6492353

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide (CID 55328930) is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccccc3OC)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is HKKUVTIBJZVGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-4-32-21-13-15-23(16-14-21)34(29,30)27(2)20-9-11-22(12-10-20)33-18-25(28)26-17-19-7-5-6-8-24(19)31-3/h5-16H,4,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55328930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).