N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C20H25NO3S — CID 133199432

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccco1
InChIInChI=1S/C20H25NO3S/c1-15(20(22)21-10-12-25-14-19-7-4-11-23-19)24-18-9-8-16-5-2-3-6-17(16)13-18/h4,7-9,11,13,15H,2-3,5-6,10,12,14H2,1H3,(H,21,22)
InChIKeyHPKFKZARJFWACI-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.98
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 133199432) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID133199432
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccco1
InChIInChI=1S/C20H25NO3S/c1-15(20(22)21-10-12-25-14-19-7-4-11-23-19)24-18-9-8-16-5-2-3-6-17(16)13-18/h4,7-9,11,13,15H,2-3,5-6,10,12,14H2,1H3,(H,21,22)
InChIKeyHPKFKZARJFWACI-UHFFFAOYSA-N
XLogP3.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)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

(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 38462113
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234960
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
N-(furan-2-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133231084
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(furan-2-ylmethyl)butanamide
CID 45148077
(2S)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100576109
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 92683340

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 133199432) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC(Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is HPKFKZARJFWACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15(20(22)21-10-12-25-14-19-7-4-11-23-19)24-18-9-8-16-5-2-3-6-17(16)13-18/h4,7-9,11,13,15H,2-3,5-6,10,12,14H2,1H3,(H,21,22).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 359.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 133199432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).