2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

C19H19F3N2O5S — CID 1253234

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)16-3-1-2-4-17(16)23-18(25)13-29-14-5-7-15(8-6-14)30(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeySNIIFDZVFCOAKL-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1253234) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1253234
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)16-3-1-2-4-17(16)23-18(25)13-29-14-5-7-15(8-6-14)30(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeySNIIFDZVFCOAKL-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
N-[4-(4-Methanesulfonyl-piperazin-1-yl)-phenyl]-2-o-tolyloxy-acetamide
CID 655939
2-{4-[(isopropylamino)sulfonyl]phenoxy}-N-1-naphthylacetamide
CID 1314065
3-oxo-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenoxy)piperidin-1-yl)ethyl)cyclohexyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonamide
CID 44435098
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6160149

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1253234) is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SNIIFDZVFCOAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c20-19(21,22)16-3-1-2-4-17(16)23-18(25)13-29-14-5-7-15(8-6-14)30(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,23,25).
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 444.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1253234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).