(4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C17H16F3NO2S — CID 56763870

IUPAC(4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCc1csc(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C17H16F3NO2S/c1-11-8-15(24-10-11)16(22)21-6-7-23-14(9-21)12-2-4-13(5-3-12)17(18,19)20/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyRLYKJLJSUOWWKB-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.29
Rot. Bonds2

About (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 56763870) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID56763870
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name(4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCc1csc(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C17H16F3NO2S/c1-11-8-15(24-10-11)16(22)21-6-7-23-14(9-21)12-2-4-13(5-3-12)17(18,19)20/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyRLYKJLJSUOWWKB-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 56763870) is (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is Cc1csc(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is RLYKJLJSUOWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-11-8-15(24-10-11)16(22)21-6-7-23-14(9-21)12-2-4-13(5-3-12)17(18,19)20/h2-5,8,10,14H,6-7,9H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 355.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56763870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).