N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C19H19F3N2O2S — CID 4849416

IUPACN-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-2-1-3-17(12-14)27-13-18(25)23-15-4-6-16(7-5-15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyVDODQRPFEFDXJT-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.27
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 4849416) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID4849416
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-2-1-3-17(12-14)27-13-18(25)23-15-4-6-16(7-5-15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyVDODQRPFEFDXJT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 4849416) is N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is VDODQRPFEFDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)14-2-1-3-17(12-14)27-13-18(25)23-15-4-6-16(7-5-15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide 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-(4-morpholin-4-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 4849416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).