2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

C18H23N3O5S — CID 113152810

IUPAC2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-25-16-3-5-17(6-4-16)26-12-11-21(27(2,23)24)14-18(22)20-13-15-7-9-19-10-8-15/h3-10H,11-14H2,1-2H3,(H,20,22)
InChIKeyNSUHXYYDVKTZGN-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.05
Rot. Bonds10

About 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113152810) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113152810
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-25-16-3-5-17(6-4-16)26-12-11-21(27(2,23)24)14-18(22)20-13-15-7-9-19-10-8-15/h3-10H,11-14H2,1-2H3,(H,20,22)
InChIKeyNSUHXYYDVKTZGN-UHFFFAOYSA-N
XLogP1.05
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113147492
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 6493165
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992
N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149986
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 113152810) is 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is COc1ccc(OCCN(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NSUHXYYDVKTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-25-16-3-5-17(6-4-16)26-12-11-21(27(2,23)24)14-18(22)20-13-15-7-9-19-10-8-15/h3-10H,11-14H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 1.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113152810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).