2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C19H22ClNO2S — CID 2117470

IUPAC2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1cccs1
InChIInChI=1S/C19H22ClNO2S/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)23-13-19(22)21-12-16-7-4-10-24-16/h4,7-11,14H,1-3,5-6,12-13H2,(H,21,22)
InChIKeyZLJGJBGNNMGSJV-UHFFFAOYSA-N
MW363.91 g/mol
LogP5.14
Rot. Bonds6

About 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2117470) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2117470
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1cccs1
InChIInChI=1S/C19H22ClNO2S/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)23-13-19(22)21-12-16-7-4-10-24-16/h4,7-11,14H,1-3,5-6,12-13H2,(H,21,22)
InChIKeyZLJGJBGNNMGSJV-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.91
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 4789101
2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4790141
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55775298
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
5-methyl-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoic acid
CID 60652928
(3S)-3-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)azepane-1-carboxamide
CID 99876754
2-(2-formylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7762764
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 1366597
methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
CID 7894213

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 2117470) is 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1cccs1.
What is the InChIKey of 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZLJGJBGNNMGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)23-13-19(22)21-12-16-7-4-10-24-16/h4,7-11,14H,1-3,5-6,12-13H2,(H,21,22).
What are the key properties of 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 363.91 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2117470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).