N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide

C18H27NOS — CID 46778333

IUPACN-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCSC2CCCCC2)c1
InChIInChI=1S/C18H27NOS/c1-14-8-9-15(2)16(12-14)13-18(20)19-10-11-21-17-6-4-3-5-7-17/h8-9,12,17H,3-7,10-11,13H2,1-2H3,(H,19,20)
InChIKeyCVNQTXWDOCOORL-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.03
Rot. Bonds6

About N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide

N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 46778333) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID46778333
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCSC2CCCCC2)c1
InChIInChI=1S/C18H27NOS/c1-14-8-9-15(2)16(12-14)13-18(20)19-10-11-21-17-6-4-3-5-7-17/h8-9,12,17H,3-7,10-11,13H2,1-2H3,(H,19,20)
InChIKeyCVNQTXWDOCOORL-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
CID 65139678
N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
CID 100528576
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 107845976
N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
CID 100517797
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
N-(2-cyclohexylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 126032115
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide
CID 100524092
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide (CID 46778333) is N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NCCSC2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is CVNQTXWDOCOORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-14-8-9-15(2)16(12-14)13-18(20)19-10-11-21-17-6-4-3-5-7-17/h8-9,12,17H,3-7,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide?
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 305.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 46778333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).