2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide

C22H27N3O2S — CID 8552136

IUPAC2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
SMILESCC(C)(C)c1csc(-c2ccc(OCC(=O)NC3(C#N)CCCCC3)cc2)n1
InChIInChI=1S/C22H27N3O2S/c1-21(2,3)18-14-28-20(24-18)16-7-9-17(10-8-16)27-13-19(26)25-22(15-23)11-5-4-6-12-22/h7-10,14H,4-6,11-13H2,1-3H3,(H,25,26)
InChIKeyABSLEOBCQHKCGU-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.83
Rot. Bonds5

About 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide

2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 8552136) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
PubChem CID8552136
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
SMILESCC(C)(C)c1csc(-c2ccc(OCC(=O)NC3(C#N)CCCCC3)cc2)n1
InChIInChI=1S/C22H27N3O2S/c1-21(2,3)18-14-28-20(24-18)16-7-9-17(10-8-16)27-13-19(26)25-22(15-23)11-5-4-6-12-22/h7-10,14H,4-6,11-13H2,1-3H3,(H,25,26)
InChIKeyABSLEOBCQHKCGU-UHFFFAOYSA-N
XLogP4.83
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026920
N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7561018
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7855996
N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 86913662
2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 39968771
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130342
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 4782860
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870824
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 106485095
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147332
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
CID 106485018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide (CID 8552136) is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide is CC(C)(C)c1csc(-c2ccc(OCC(=O)NC3(C#N)CCCCC3)cc2)n1.
What is the InChIKey of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is ABSLEOBCQHKCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-21(2,3)18-14-28-20(24-18)16-7-9-17(10-8-16)27-13-19(26)25-22(15-23)11-5-4-6-12-22/h7-10,14H,4-6,11-13H2,1-3H3,(H,25,26).
What are the key properties of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 397.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 8552136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).