N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C18H25F3N2O2S — CID 119937412

IUPACN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(CN(C)C(=O)CC2CSCCN2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2S/c1-12-6-14(7-13(2)17(12)25-11-18(19,20)21)9-23(3)16(24)8-15-10-26-5-4-22-15/h6-7,15,22H,4-5,8-11H2,1-3H3
InChIKeyCVUQISKJBLAFQL-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.30
Rot. Bonds6

About N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 119937412) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID119937412
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC NameN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(CN(C)C(=O)CC2CSCCN2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2S/c1-12-6-14(7-13(2)17(12)25-11-18(19,20)21)9-23(3)16(24)8-15-10-26-5-4-22-15/h6-7,15,22H,4-5,8-11H2,1-3H3
InChIKeyCVUQISKJBLAFQL-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119740738
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119740725
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 124588743
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119740719
(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624510
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 119937412) is N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is Cc1cc(CN(C)C(=O)CC2CSCCN2)cc(C)c1OCC(F)(F)F.
What is the InChIKey of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is CVUQISKJBLAFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c1-12-6-14(7-13(2)17(12)25-11-18(19,20)21)9-23(3)16(24)8-15-10-26-5-4-22-15/h6-7,15,22H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 390.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).