N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide

C19H19F3N2O2S — CID 2126492

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-6-7-17(24-8-10-26-11-9-24)16(12-14)23-18(25)13-27-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyVKFOJNFMAQIGCJ-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.27
Rot. Bonds5

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 2126492) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
PubChem CID2126492
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-6-7-17(24-8-10-26-11-9-24)16(12-14)23-18(25)13-27-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyVKFOJNFMAQIGCJ-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide (CID 2126492) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is VKFOJNFMAQIGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)14-6-7-17(24-8-10-26-11-9-24)16(12-14)23-18(25)13-27-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,25).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 396.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 2126492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).