2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide

C19H19ClF3NO2S — CID 154375262

IUPAC2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide
SMILESCCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1SC(C)C(=O)NC
InChIInChI=1S/C19H19ClF3NO2S/c1-4-12-5-7-14(10-17(12)27-11(2)18(25)24-3)26-16-8-6-13(9-15(16)20)19(21,22)23/h5-11H,4H2,1-3H3,(H,24,25)
InChIKeyZUEFMOBYWLBSRL-UHFFFAOYSA-N
MW417.88 g/mol
LogP5.94
Rot. Bonds6

About 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide

2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide (PubChem CID 154375262) has the molecular formula C19H19ClF3NO2S and a molecular weight of 417.88 g/mol. Its IUPAC name is 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide
PubChem CID154375262
Molecular FormulaC19H19ClF3NO2S
Molecular Weight417.88 g/mol
Exact Mass417.08
IUPAC Name2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide
SMILESCCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1SC(C)C(=O)NC
InChIInChI=1S/C19H19ClF3NO2S/c1-4-12-5-7-14(10-17(12)27-11(2)18(25)24-3)26-16-8-6-13(9-15(16)20)19(21,22)23/h5-11H,4H2,1-3H3,(H,24,25)
InChIKeyZUEFMOBYWLBSRL-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.88
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide?
The IUPAC name of 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide (CID 154375262) is 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide.
What is the SMILES notation for 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide?
The canonical SMILES for 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide is CCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1SC(C)C(=O)NC.
What is the InChIKey of 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide?
The InChIKey is ZUEFMOBYWLBSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO2S/c1-4-12-5-7-14(10-17(12)27-11(2)18(25)24-3)26-16-8-6-13(9-15(16)20)19(21,22)23/h5-11H,4H2,1-3H3,(H,24,25).
What are the key properties of 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide?
2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide has a molecular weight of 417.88 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]sulfanyl-N-methylpropanamide is sourced from PubChem (CID 154375262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).