2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C18H21N3O5S — CID 2230271

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccn1
InChIInChI=1S/C18H21N3O5S/c22-18(20-13-15-3-1-2-8-19-15)14-26-16-4-6-17(7-5-16)27(23,24)21-9-11-25-12-10-21/h1-8H,9-14H2,(H,20,22)
InChIKeyACZMKEUNWZKQQP-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.80
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2230271) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2230271
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccn1
InChIInChI=1S/C18H21N3O5S/c22-18(20-13-15-3-1-2-8-19-15)14-26-16-4-6-17(7-5-16)27(23,24)21-9-11-25-12-10-21/h1-8H,9-14H2,(H,20,22)
InChIKeyACZMKEUNWZKQQP-UHFFFAOYSA-N
XLogP0.80
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 2230271) is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccn1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ACZMKEUNWZKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c22-18(20-13-15-3-1-2-8-19-15)14-26-16-4-6-17(7-5-16)27(23,24)21-9-11-25-12-10-21/h1-8H,9-14H2,(H,20,22).
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).