N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide

C20H22F3N3O4S — CID 19974367

IUPACN-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(CC(C)N2CC(=O)OC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-12(7-13-3-5-14(6-4-13)29-10-17(27)24-2)26-8-16(30-18(28)9-26)15-11-31-19(25-15)20(21,22)23/h3-6,11-12,16H,7-10H2,1-2H3,(H,24,27)
InChIKeyPRGKLUICLHAXDD-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.82
Rot. Bonds7

About N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide

N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide (PubChem CID 19974367) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide
PubChem CID19974367
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC NameN-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(CC(C)N2CC(=O)OC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-12(7-13-3-5-14(6-4-13)29-10-17(27)24-2)26-8-16(30-18(28)9-26)15-11-31-19(25-15)20(21,22)23/h3-6,11-12,16H,7-10H2,1-2H3,(H,24,27)
InChIKeyPRGKLUICLHAXDD-UHFFFAOYSA-N
XLogP2.82
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide (CID 19974367) is N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide is CNC(=O)COc1ccc(CC(C)N2CC(=O)OC(c3csc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide?
The InChIKey is PRGKLUICLHAXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-12(7-13-3-5-14(6-4-13)29-10-17(27)24-2)26-8-16(30-18(28)9-26)15-11-31-19(25-15)20(21,22)23/h3-6,11-12,16H,7-10H2,1-2H3,(H,24,27).
What are the key properties of N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide?
N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide has a molecular weight of 457.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-[2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propyl]phenoxy]acetamide is sourced from PubChem (CID 19974367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).