N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide

C21H22F3N3O2S — CID 56552548

IUPACN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C21H22F3N3O2S/c22-21(23,24)16-2-1-3-18(13-16)25-14-19(28)26-17-6-4-15(5-7-17)12-20(29)27-8-10-30-11-9-27/h1-7,13,25H,8-12,14H2,(H,26,28)
InChIKeyXHDYKDFIRAATGO-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.87
Rot. Bonds6

About N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56552548) has the molecular formula C21H22F3N3O2S and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56552548
Molecular FormulaC21H22F3N3O2S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C21H22F3N3O2S/c22-21(23,24)16-2-1-3-18(13-16)25-14-19(28)26-17-6-4-15(5-7-17)12-20(29)27-8-10-30-11-9-27/h1-7,13,25H,8-12,14H2,(H,26,28)
InChIKeyXHDYKDFIRAATGO-UHFFFAOYSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide
CID 120590930
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54834910
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552808
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844480
3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844350

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56552548) is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(CC(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is XHDYKDFIRAATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2S/c22-21(23,24)16-2-1-3-18(13-16)25-14-19(28)26-17-6-4-15(5-7-17)12-20(29)27-8-10-30-11-9-27/h1-7,13,25H,8-12,14H2,(H,26,28).
What are the key properties of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 437.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56552548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).