N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide

C17H24F3N3O4S2 — CID 55667278

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC(F)(F)F
InChIInChI=1S/C17H24F3N3O4S2/c1-3-22(4-2)15-6-5-13(29(25,26)23-7-9-27-10-8-23)11-14(15)21-16(24)12-28-17(18,19)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,24)
InChIKeyQLSNJZXJJIEMTK-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55667278) has the molecular formula C17H24F3N3O4S2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55667278
Molecular FormulaC17H24F3N3O4S2
Molecular Weight455.52 g/mol
Exact Mass455.12
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC(F)(F)F
InChIInChI=1S/C17H24F3N3O4S2/c1-3-22(4-2)15-6-5-13(29(25,26)23-7-9-27-10-8-23)11-14(15)21-16(24)12-28-17(18,19)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,24)
InChIKeyQLSNJZXJJIEMTK-UHFFFAOYSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667277
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methylphenoxy)acetamide
CID 30587504
2-[cyclopropyl(2-methylpropyl)amino]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 43061643
2-(3-chloro-4-fluorophenoxy)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 30784633
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 29431549
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 30345312
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylfuran-3-carboxamide
CID 55382027

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide (CID 55667278) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC(F)(F)F.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is QLSNJZXJJIEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O4S2/c1-3-22(4-2)15-6-5-13(29(25,26)23-7-9-27-10-8-23)11-14(15)21-16(24)12-28-17(18,19)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 455.52 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55667278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).