N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C18H18F3N3O5S — CID 4316111

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18F3N3O5S/c19-18(20,21)13-4-5-17(26)23(11-13)12-16(25)22-14-2-1-3-15(10-14)30(27,28)24-6-8-29-9-7-24/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyABWFYTYYUUUBHG-UHFFFAOYSA-N
MW445.42 g/mol
LogP1.53
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 4316111) has the molecular formula C18H18F3N3O5S and a molecular weight of 445.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID4316111
Molecular FormulaC18H18F3N3O5S
Molecular Weight445.42 g/mol
Exact Mass445.09
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18F3N3O5S/c19-18(20,21)13-4-5-17(26)23(11-13)12-16(25)22-14-2-1-3-15(10-14)30(27,28)24-6-8-29-9-7-24/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyABWFYTYYUUUBHG-UHFFFAOYSA-N
XLogP1.53
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
N-(4-Cyclohexylsulfamoyl-phenyl)-2-morpholin-4-yl-acetamide
CID 647448
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1006632
N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 2529031
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
N-(4-{[4-(2-morpholino-2-oxoethyl)piperazino]sulfonyl}phenyl)acetamide
CID 2815598
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 3446135
2-(cyclohexylmethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4365451

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 4316111) is N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ABWFYTYYUUUBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O5S/c19-18(20,21)13-4-5-17(26)23(11-13)12-16(25)22-14-2-1-3-15(10-14)30(27,28)24-6-8-29-9-7-24/h1-5,10-11H,6-9,12H2,(H,22,25).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 445.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 4316111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).