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

C27H22F3N3O2S — CID 86591546

IUPACN-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)Nc1nc(CCc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)cs1
InChIInChI=1S/C27H22F3N3O2S/c1-17(34)31-26-33-22(16-36-26)15-8-18-6-13-21(14-7-18)32-25(35)24-5-3-2-4-23(24)19-9-11-20(12-10-19)27(28,29)30/h2-7,9-14,16H,8,15H2,1H3,(H,32,35)(H,31,33,34)
InChIKeyMNEYMJLSQGUIMY-UHFFFAOYSA-N
MW509.55 g/mol
LogP6.82
Rot. Bonds7

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

N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 86591546) has the molecular formula C27H22F3N3O2S and a molecular weight of 509.55 g/mol. Its IUPAC name is N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID86591546
Molecular FormulaC27H22F3N3O2S
Molecular Weight509.55 g/mol
Exact Mass509.14
IUPAC NameN-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)Nc1nc(CCc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)cs1
InChIInChI=1S/C27H22F3N3O2S/c1-17(34)31-26-33-22(16-36-26)15-8-18-6-13-21(14-7-18)32-25(35)24-5-3-2-4-23(24)19-9-11-20(12-10-19)27(28,29)30/h2-7,9-14,16H,8,15H2,1H3,(H,32,35)(H,31,33,34)
InChIKeyMNEYMJLSQGUIMY-UHFFFAOYSA-N
XLogP6.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.55
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-acetamido-1,3-thiazol-4-yl)methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 86591540
N-[4-[2-[4-(2,2,3,4,4-pentamethylpentan-3-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 173162018
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534791
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55767726
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
[6-[2-oxo-2-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]anilino]ethyl]-2-pyridinyl]carbamic acid
CID 70001635
1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide
CID 12051311
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-[4-[2-[4-(2-hydrazinylideneethylamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87797084
N-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;2-[4-(trifluoromethyl)phenyl]benzoic acid
CID 86591518
N-[4-[2-[4-[2-(aminohydrazinylidene)ethylamino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87985696
4-[4-[[2-(4-tert-butylphenyl)benzoyl]amino]phenyl]-1,3-thiazole-2-carboxylic acid
CID 59820177

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 86591546) is N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CC(=O)Nc1nc(CCc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)cs1.
What is the InChIKey of N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MNEYMJLSQGUIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O2S/c1-17(34)31-26-33-22(16-36-26)15-8-18-6-13-21(14-7-18)32-25(35)24-5-3-2-4-23(24)19-9-11-20(12-10-19)27(28,29)30/h2-7,9-14,16H,8,15H2,1H3,(H,32,35)(H,31,33,34).
What are the key properties of N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 509.55 g/mol, XLogP of 6.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 86591546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).