N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C25H19F3N2O2S — CID 10162157

IUPACN-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCc2cscn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H19F3N2O2S/c26-25(27,28)18-7-5-17(6-8-18)22-3-1-2-4-23(22)24(31)30-19-9-11-21(12-10-19)32-14-13-20-15-33-16-29-20/h1-12,15-16H,13-14H2,(H,30,31)
InChIKeyDSOWKNWKJGITEK-UHFFFAOYSA-N
MW468.50 g/mol
LogP6.70
Rot. Bonds7

About N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10162157) has the molecular formula C25H19F3N2O2S and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10162157
Molecular FormulaC25H19F3N2O2S
Molecular Weight468.50 g/mol
Exact Mass468.11
IUPAC NameN-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCc2cscn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H19F3N2O2S/c26-25(27,28)18-7-5-17(6-8-18)22-3-1-2-4-23(22)24(31)30-19-9-11-21(12-10-19)32-14-13-20-15-33-16-29-20/h1-12,15-16H,13-14H2,(H,30,31)
InChIKeyDSOWKNWKJGITEK-UHFFFAOYSA-N
XLogP6.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 10162157) is N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(OCCc2cscn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DSOWKNWKJGITEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2S/c26-25(27,28)18-7-5-17(6-8-18)22-3-1-2-4-23(22)24(31)30-19-9-11-21(12-10-19)32-14-13-20-15-33-16-29-20/h1-12,15-16H,13-14H2,(H,30,31).
What are the key properties of N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 468.50 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10162157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).