N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide

C19H19NO2S — CID 18113744

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCSCc1ccco1
InChIInChI=1S/C19H19NO2S/c21-19(20-10-12-23-14-17-8-4-11-22-17)13-16-7-3-6-15-5-1-2-9-18(15)16/h1-9,11H,10,12-14H2,(H,20,21)
InChIKeyPLMBGHFJWHKWHM-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 18113744) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide
PubChem CID18113744
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCSCc1ccco1
InChIInChI=1S/C19H19NO2S/c21-19(20-10-12-23-14-17-8-4-11-22-17)13-16-7-3-6-15-5-1-2-9-18(15)16/h1-9,11H,10,12-14H2,(H,20,21)
InChIKeyPLMBGHFJWHKWHM-UHFFFAOYSA-N
XLogP4.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
2-(2,4-dimethylquinolin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113732
N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60568912
N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55381578
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349016
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18162076
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 60675809

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide (CID 18113744) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is PLMBGHFJWHKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-19(20-10-12-23-14-17-8-4-11-22-17)13-16-7-3-6-15-5-1-2-9-18(15)16/h1-9,11H,10,12-14H2,(H,20,21).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 325.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 18113744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).