N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide

C17H25NOS — CID 100660183

IUPACN-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCSC2CCCC2)cc1C
InChIInChI=1S/C17H25NOS/c1-13-7-8-15(11-14(13)2)12-17(19)18-9-10-20-16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyZYRPSDUFCDWMEF-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.64
Rot. Bonds6

About N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide

N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 100660183) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID100660183
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCSC2CCCC2)cc1C
InChIInChI=1S/C17H25NOS/c1-13-7-8-15(11-14(13)2)12-17(19)18-9-10-20-16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyZYRPSDUFCDWMEF-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.64
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-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
CID 100517797
N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 64929808
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide
CID 100524092
N-(2-cyclohexylsulfanylethyl)-3-(3,4-dichlorophenyl)propanamide
CID 100594412
N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
CID 100591529
2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
CID 18157580
N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3920439
N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
CID 100528576
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide (CID 100660183) is N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NCCSC2CCCC2)cc1C.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is ZYRPSDUFCDWMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-13-7-8-15(11-14(13)2)12-17(19)18-9-10-20-16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide?
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 291.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 100660183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).