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

C25H28N2O6S — CID 24581647

IUPAC2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-4-17-32-24-8-6-5-7-23(24)26-25(28)18-33-21-11-9-19(10-12-21)27(2)34(29,30)22-15-13-20(31-3)14-16-22/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyGGASXKIYHRIGRV-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.33
Rot. Bonds11

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

2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide (PubChem CID 24581647) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide
PubChem CID24581647
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-4-17-32-24-8-6-5-7-23(24)26-25(28)18-33-21-11-9-19(10-12-21)27(2)34(29,30)22-15-13-20(31-3)14-16-22/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyGGASXKIYHRIGRV-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247228
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17247048
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 23995751
N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 7643459
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 92649117
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 17247035
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55328930
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
[2-(2-nitroanilino)-2-oxoethyl] 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 4830706

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide (CID 24581647) is 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide?
The InChIKey is GGASXKIYHRIGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-4-17-32-24-8-6-5-7-23(24)26-25(28)18-33-21-11-9-19(10-12-21)27(2)34(29,30)22-15-13-20(31-3)14-16-22/h5-16H,4,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide?
2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide has a molecular weight of 484.57 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 24581647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).