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

C24H22F3N3O2S — CID 30346090

IUPACN-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C24H22F3N3O2S/c25-24(26,27)16-11-9-15(10-12-16)23-29-18(14-33-23)13-21(31)30-20-8-4-3-7-19(20)22(32)28-17-5-1-2-6-17/h3-4,7-12,14,17H,1-2,5-6,13H2,(H,28,32)(H,30,31)
InChIKeyVKBOVJLUHUNAMB-UHFFFAOYSA-N
MW473.52 g/mol
LogP5.68
Rot. Bonds6

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

N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 30346090) has the molecular formula C24H22F3N3O2S and a molecular weight of 473.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID30346090
Molecular FormulaC24H22F3N3O2S
Molecular Weight473.52 g/mol
Exact Mass473.14
IUPAC NameN-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C24H22F3N3O2S/c25-24(26,27)16-11-9-15(10-12-16)23-29-18(14-33-23)13-21(31)30-20-8-4-3-7-19(20)22(32)28-17-5-1-2-6-17/h3-4,7-12,14,17H,1-2,5-6,13H2,(H,28,32)(H,30,31)
InChIKeyVKBOVJLUHUNAMB-UHFFFAOYSA-N
XLogP5.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-cyclopentyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24664133
N-(2-iodophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701324
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802675
N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
N-(3-hydroxy-2-pyridinyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 30345603
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 30346090) is N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is VKBOVJLUHUNAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2S/c25-24(26,27)16-11-9-15(10-12-16)23-29-18(14-33-23)13-21(31)30-20-8-4-3-7-19(20)22(32)28-17-5-1-2-6-17/h3-4,7-12,14,17H,1-2,5-6,13H2,(H,28,32)(H,30,31).
What are the key properties of N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 473.52 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 30346090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).