N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide

C22H28N2O6S — CID 6495047

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1
InChIInChI=1S/C22H28N2O6S/c1-17-15-20(31(26,27)24-11-13-29-14-12-24)7-8-21(17)30-16-22(25)23-10-9-18-3-5-19(28-2)6-4-18/h3-8,15H,9-14,16H2,1-2H3,(H,23,25)
InChIKeyVLTURSWELOESCI-UHFFFAOYSA-N
MW448.54 g/mol
LogP1.76
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 6495047) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID6495047
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1
InChIInChI=1S/C22H28N2O6S/c1-17-15-20(31(26,27)24-11-13-29-14-12-24)7-8-21(17)30-16-22(25)23-10-9-18-3-5-19(28-2)6-4-18/h3-8,15H,9-14,16H2,1-2H3,(H,23,25)
InChIKeyVLTURSWELOESCI-UHFFFAOYSA-N
XLogP1.76
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 6495047) is N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is VLTURSWELOESCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-17-15-20(31(26,27)24-11-13-29-14-12-24)7-8-21(17)30-16-22(25)23-10-9-18-3-5-19(28-2)6-4-18/h3-8,15H,9-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 448.54 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 6495047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).