N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide

C24H24F3NO2S — CID 143575367

IUPACN-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1CC
InChIInChI=1S/C24H24F3NO2S/c1-4-16-13-18(11-12-21(16)28(3)22(29)5-2)30-15-19-14-20(17-9-7-6-8-10-17)23(31-19)24(25,26)27/h6-14H,4-5,15H2,1-3H3
InChIKeyGIHBKQNKIMOYDJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP6.95
Rot. Bonds7

About N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide

N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide (PubChem CID 143575367) has the molecular formula C24H24F3NO2S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide
PubChem CID143575367
Molecular FormulaC24H24F3NO2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC NameN-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1CC
InChIInChI=1S/C24H24F3NO2S/c1-4-16-13-18(11-12-21(16)28(3)22(29)5-2)30-15-19-14-20(17-9-7-6-8-10-17)23(31-19)24(25,26)27/h6-14H,4-5,15H2,1-3H3
InChIKeyGIHBKQNKIMOYDJ-UHFFFAOYSA-N
XLogP6.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide (CID 143575367) is N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1CC.
What is the InChIKey of N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide?
The InChIKey is GIHBKQNKIMOYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2S/c1-4-16-13-18(11-12-21(16)28(3)22(29)5-2)30-15-19-14-20(17-9-7-6-8-10-17)23(31-19)24(25,26)27/h6-14H,4-5,15H2,1-3H3.
What are the key properties of N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide?
N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide has a molecular weight of 447.52 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]-N-methylpropanamide is sourced from PubChem (CID 143575367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).