N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide

C17H25NO2S — CID 134007878

IUPACN-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide
SMILESCCN(C(=O)COc1ccc(SC)cc1)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-3-18(14-7-5-4-6-8-14)17(19)13-20-15-9-11-16(21-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3
InChIKeyYHNRAKPRHRSUQH-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.97
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide

N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 134007878) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID134007878
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide
SMILESCCN(C(=O)COc1ccc(SC)cc1)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-3-18(14-7-5-4-6-8-14)17(19)13-20-15-9-11-16(21-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3
InChIKeyYHNRAKPRHRSUQH-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
N-cyclohexyl-2-(2,6-dichlorophenoxy)-N-ethylacetamide
CID 112786349
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
N-cyclopropyl-N-ethyl-2-(4-fluoro-3-methylphenoxy)acetamide
CID 81421978
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312583
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide (CID 134007878) is N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide is CCN(C(=O)COc1ccc(SC)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is YHNRAKPRHRSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-18(14-7-5-4-6-8-14)17(19)13-20-15-9-11-16(21-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide?
N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 134007878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).