N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C18H20F3N3O3S — CID 43042503

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)13-3-4-17(26)24(11-13)12-16(25)22-10-14(15-2-1-9-28-15)23-5-7-27-8-6-23/h1-4,9,11,14H,5-8,10,12H2,(H,22,25)
InChIKeyXYLFZAZZZOTGHO-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.12
Rot. Bonds6

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 43042503) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID43042503
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)13-3-4-17(26)24(11-13)12-16(25)22-10-14(15-2-1-9-28-15)23-5-7-27-8-6-23/h1-4,9,11,14H,5-8,10,12H2,(H,22,25)
InChIKeyXYLFZAZZZOTGHO-UHFFFAOYSA-N
XLogP2.12
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 43042503) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is XYLFZAZZZOTGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c19-18(20,21)13-3-4-17(26)24(11-13)12-16(25)22-10-14(15-2-1-9-28-15)23-5-7-27-8-6-23/h1-4,9,11,14H,5-8,10,12H2,(H,22,25).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 415.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 43042503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).