N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C19H21F3N2O3S — CID 25162730

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)14-3-1-4-15(11-14)27-13-18(25)23-12-16(17-5-2-10-28-17)24-6-8-26-9-7-24/h1-5,10-11,16H,6-9,12-13H2,(H,23,25)
InChIKeyYXIWYVYZWMBLFC-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.34
Rot. Bonds7

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 25162730) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID25162730
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)14-3-1-4-15(11-14)27-13-18(25)23-12-16(17-5-2-10-28-17)24-6-8-26-9-7-24/h1-5,10-11,16H,6-9,12-13H2,(H,23,25)
InChIKeyYXIWYVYZWMBLFC-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

RU-Ski 43
CID 46006640
2-(4-methylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
CID 2092599
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510848
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
N-ethyl-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511310
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512098
US9776991, Example 17
CID 118112570

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 25162730) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is YXIWYVYZWMBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c20-19(21,22)14-3-1-4-15(11-14)27-13-18(25)23-12-16(17-5-2-10-28-17)24-6-8-26-9-7-24/h1-5,10-11,16H,6-9,12-13H2,(H,23,25).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 414.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 25162730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).