N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C29H20F4N2O2S — CID 16760756

IUPACN-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(N(C(=O)c2cccc(F)c2)c2nc(C(F)(F)F)c(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C29H20F4N2O2S/c1-2-37-22-15-13-21(14-16-22)35(27(36)19-9-5-10-20(30)17-19)28-34-26(29(31,32)33)25(38-28)24-12-6-8-18-7-3-4-11-23(18)24/h3-17H,2H2,1H3
InChIKeyZVRGRYIXQMMFIU-UHFFFAOYSA-N
MW536.55 g/mol
LogP8.50
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16760756) has the molecular formula C29H20F4N2O2S and a molecular weight of 536.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16760756
Molecular FormulaC29H20F4N2O2S
Molecular Weight536.55 g/mol
Exact Mass536.12
IUPAC NameN-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(N(C(=O)c2cccc(F)c2)c2nc(C(F)(F)F)c(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C29H20F4N2O2S/c1-2-37-22-15-13-21(14-16-22)35(27(36)19-9-5-10-20(30)17-19)28-34-26(29(31,32)33)25(38-28)24-12-6-8-18-7-3-4-11-23(18)24/h3-17H,2H2,1H3
InChIKeyZVRGRYIXQMMFIU-UHFFFAOYSA-N
XLogP8.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.55
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 16760756) is N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is CCOc1ccc(N(C(=O)c2cccc(F)c2)c2nc(C(F)(F)F)c(-c3cccc4ccccc34)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZVRGRYIXQMMFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F4N2O2S/c1-2-37-22-15-13-21(14-16-22)35(27(36)19-9-5-10-20(30)17-19)28-34-26(29(31,32)33)25(38-28)24-12-6-8-18-7-3-4-11-23(18)24/h3-17H,2H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 536.55 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-fluoro-N-[5-naphthalen-1-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16760756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).