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

C20H23FN2O5S — CID 9331335

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O5S/c21-17-3-1-16(2-4-17)9-10-22-20(24)15-28-18-5-7-19(8-6-18)29(25,26)23-11-13-27-14-12-23/h1-8H,9-15H2,(H,22,24)
InChIKeyJETHBGNRVOCDTK-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.58
Rot. Bonds8

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

N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 9331335) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID9331335
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O5S/c21-17-3-1-16(2-4-17)9-10-22-20(24)15-28-18-5-7-19(8-6-18)29(25,26)23-11-13-27-14-12-23/h1-8H,9-15H2,(H,22,24)
InChIKeyJETHBGNRVOCDTK-UHFFFAOYSA-N
XLogP1.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491401
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
2-[(4-fluorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149588
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
N-(2,5-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28553842
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28562495
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 9331335) is N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is JETHBGNRVOCDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c21-17-3-1-16(2-4-17)9-10-22-20(24)15-28-18-5-7-19(8-6-18)29(25,26)23-11-13-27-14-12-23/h1-8H,9-15H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 422.48 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 9331335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).