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

C20H21F3N2O2S — CID 2236029

IUPAC2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H21F3N2O2S/c1-14-2-5-16(6-3-14)28-13-19(26)24-17-12-15(20(21,22)23)4-7-18(17)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26)
InChIKeyZUVUWLNMROPUTP-UHFFFAOYSA-N
MW410.46 g/mol
LogP4.58
Rot. Bonds5

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

2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2236029) has the molecular formula C20H21F3N2O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2236029
Molecular FormulaC20H21F3N2O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H21F3N2O2S/c1-14-2-5-16(6-3-14)28-13-19(26)24-17-12-15(20(21,22)23)4-7-18(17)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26)
InChIKeyZUVUWLNMROPUTP-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-[(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
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2089202
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2616433
N-[3-fluoro-4-(4-methylpiperazino)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide
CID 3551477
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2236029) is 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZUVUWLNMROPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2S/c1-14-2-5-16(6-3-14)28-13-19(26)24-17-12-15(20(21,22)23)4-7-18(17)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(4-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-(4-methylphenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2236029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).