2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C19H19N3O5S — CID 4668478

IUPAC2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c20-13-15-1-5-17(6-2-15)27-14-19(23)21-16-3-7-18(8-4-16)28(24,25)22-9-11-26-12-10-22/h1-8H,9-12,14H2,(H,21,23)
InChIKeyOALAQLLTBCSERZ-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.60
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4668478) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4668478
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c20-13-15-1-5-17(6-2-15)27-14-19(23)21-16-3-7-18(8-4-16)28(24,25)22-9-11-26-12-10-22/h1-8H,9-12,14H2,(H,21,23)
InChIKeyOALAQLLTBCSERZ-UHFFFAOYSA-N
XLogP1.60
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4668478) is 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is N#Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is OALAQLLTBCSERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c20-13-15-1-5-17(6-2-15)27-14-19(23)21-16-3-7-18(8-4-16)28(24,25)22-9-11-26-12-10-22/h1-8H,9-12,14H2,(H,21,23).
What are the key properties of 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 401.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4668478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).