2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide

C24H26N2O2S — CID 23789774

IUPAC2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cc2ccccc2)cc1)Nc1nc(C2CCCCC2)cs1
InChIInChI=1S/C24H26N2O2S/c27-23(26-24-25-22(17-29-24)20-9-5-2-6-10-20)16-28-21-13-11-19(12-14-21)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2,(H,25,26,27)
InChIKeyYDRSIPUHGCGWNF-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.80
Rot. Bonds7

About 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide

2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide (PubChem CID 23789774) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
PubChem CID23789774
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cc2ccccc2)cc1)Nc1nc(C2CCCCC2)cs1
InChIInChI=1S/C24H26N2O2S/c27-23(26-24-25-22(17-29-24)20-9-5-2-6-10-20)16-28-21-13-11-19(12-14-21)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2,(H,25,26,27)
InChIKeyYDRSIPUHGCGWNF-UHFFFAOYSA-N
XLogP5.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide
CID 86871760
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071
2-cyclopentyloxy-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47243063
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 33301638
2-benzyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32865615
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 33301642
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183028
2-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 32863339
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide (CID 23789774) is 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc(Cc2ccccc2)cc1)Nc1nc(C2CCCCC2)cs1.
What is the InChIKey of 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YDRSIPUHGCGWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c27-23(26-24-25-22(17-29-24)20-9-5-2-6-10-20)16-28-21-13-11-19(12-14-21)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2,(H,25,26,27).
What are the key properties of 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23789774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).