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

C25H28N2O5S — CID 55335445

IUPAC2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-22-13-15-24(16-14-22)33(29,30)27(3)21-9-11-23(12-10-21)32-18-25(28)26-17-20-7-5-19(2)6-8-20/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyDDGACRBLYQYLII-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.91
Rot. Bonds10

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

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 55335445) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID55335445
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-22-13-15-24(16-14-22)33(29,30)27(3)21-9-11-23(12-10-21)32-18-25(28)26-17-20-7-5-19(2)6-8-20/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyDDGACRBLYQYLII-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 112775706
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 42989070
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55328930
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 32743662
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide (CID 55335445) is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DDGACRBLYQYLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-31-22-13-15-24(16-14-22)33(29,30)27(3)21-9-11-23(12-10-21)32-18-25(28)26-17-20-7-5-19(2)6-8-20/h5-16H,4,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 55335445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).