N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide

C20H22F3NO2S — CID 22315294

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCSc1ccc(CC(=O)N(C)C(C)C(O)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C20H22F3NO2S/c1-13(19(26)15-7-5-4-6-8-15)24(2)18(25)12-14-9-10-17(27-3)16(11-14)20(21,22)23/h4-11,13,19,26H,12H2,1-3H3
InChIKeyXVADDFCLWRMCMS-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.55
Rot. Bonds6

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 22315294) has the molecular formula C20H22F3NO2S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID22315294
Molecular FormulaC20H22F3NO2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCSc1ccc(CC(=O)N(C)C(C)C(O)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C20H22F3NO2S/c1-13(19(26)15-7-5-4-6-8-15)24(2)18(25)12-14-9-10-17(27-3)16(11-14)20(21,22)23/h4-11,13,19,26H,12H2,1-3H3
InChIKeyXVADDFCLWRMCMS-UHFFFAOYSA-N
XLogP4.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide (CID 22315294) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide is CSc1ccc(CC(=O)N(C)C(C)C(O)c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XVADDFCLWRMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2S/c1-13(19(26)15-7-5-4-6-8-15)24(2)18(25)12-14-9-10-17(27-3)16(11-14)20(21,22)23/h4-11,13,19,26H,12H2,1-3H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22315294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).