3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide

C17H25NO3S — CID 86265192

IUPAC3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCSC2CCOCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-20-15-5-2-14(3-6-15)4-7-17(19)18-10-13-22-16-8-11-21-12-9-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,18,19)
InChIKeyQFPHEZPAMBRJHU-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.66
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide (PubChem CID 86265192) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
PubChem CID86265192
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCSC2CCOCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-20-15-5-2-14(3-6-15)4-7-17(19)18-10-13-22-16-8-11-21-12-9-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,18,19)
InChIKeyQFPHEZPAMBRJHU-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
CID 100591529
3-(4-methylsulfanylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265215
3-(4-chloro-3-methylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265219
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121152792
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
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)-3-(3,4-dichlorophenyl)propanamide
CID 100594412

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide (CID 86265192) is 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide is COc1ccc(CCC(=O)NCCSC2CCOCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
The InChIKey is QFPHEZPAMBRJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-20-15-5-2-14(3-6-15)4-7-17(19)18-10-13-22-16-8-11-21-12-9-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide has a molecular weight of 323.46 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 86265192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).