2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C20H21F3N2O2S — CID 24686745

IUPAC2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H21F3N2O2S/c1-14-4-2-3-5-18(14)28-13-19(26)24-16-12-15(20(21,22)23)6-7-17(16)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26)
InChIKeyVWAIQKOXXASFLW-UHFFFAOYSA-N
MW410.46 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 24686745) has the molecular formula C20H21F3N2O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID24686745
Molecular FormulaC20H21F3N2O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H21F3N2O2S/c1-14-4-2-3-5-18(14)28-13-19(26)24-16-12-15(20(21,22)23)6-7-17(16)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26)
InChIKeyVWAIQKOXXASFLW-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate
CID 2434543
2-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 847697
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 891690
N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-thiophenecarboxamide
CID 1081262
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2616433
N-(4-(3-(4-m-tolylpiperazin-1-yl)propylthio)phenyl)acetamide
CID 14933054
N-(3-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24687588
N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide
CID 24688087
N-(4-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide
CID 24979220
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24980897

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 24686745) is 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VWAIQKOXXASFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2S/c1-14-4-2-3-5-18(14)28-13-19(26)24-16-12-15(20(21,22)23)6-7-17(16)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 410.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24686745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).