N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide

C18H27NO2S — CID 100591529

IUPACN-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCSC2CCCCC2)cc1
InChIInChI=1S/C18H27NO2S/c1-21-16-10-7-15(8-11-16)9-12-18(20)19-13-14-22-17-5-3-2-4-6-17/h7-8,10-11,17H,2-6,9,12-14H2,1H3,(H,19,20)
InChIKeyGEINEYHBFVGVPC-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.81
Rot. Bonds8

About N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide

N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 100591529) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
PubChem CID100591529
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC NameN-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCSC2CCCCC2)cc1
InChIInChI=1S/C18H27NO2S/c1-21-16-10-7-15(8-11-16)9-12-18(20)19-13-14-22-17-5-3-2-4-6-17/h7-8,10-11,17H,2-6,9,12-14H2,1H3,(H,19,20)
InChIKeyGEINEYHBFVGVPC-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265192
N-(2-cyclohexylsulfanylethyl)-3-(3,4-dichlorophenyl)propanamide
CID 100594412
3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 23775391
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718
3-(1,3-benzodioxol-5-yl)-N-(2-cyclopentylsulfanylethyl)propanamide
CID 94101635
3-(4-methylsulfanylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265215
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133239121

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide (CID 100591529) is N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCSC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is GEINEYHBFVGVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-21-16-10-7-15(8-11-16)9-12-18(20)19-13-14-22-17-5-3-2-4-6-17/h7-8,10-11,17H,2-6,9,12-14H2,1H3,(H,19,20).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide?
N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 321.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100591529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).