N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

C18H17NO2S — CID 31087778

IUPACN-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)NCc1ccco1
InChIInChI=1S/C18H17NO2S/c20-18(19-11-16-8-4-10-21-16)13-22-12-15-7-3-6-14-5-1-2-9-17(14)15/h1-10H,11-13H2,(H,19,20)
InChIKeySHWZKEYRVBXYPT-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.98
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (PubChem CID 31087778) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
PubChem CID31087778
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)NCc1ccco1
InChIInChI=1S/C18H17NO2S/c20-18(19-11-16-8-4-10-21-16)13-22-12-15-7-3-6-14-5-1-2-9-17(14)15/h1-10H,11-13H2,(H,19,20)
InChIKeySHWZKEYRVBXYPT-UHFFFAOYSA-N
XLogP3.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide
CID 18113744
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058118
N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 47320973
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 79683092
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 60542543

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (CID 31087778) is N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is O=C(CSCc1cccc2ccccc12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The InChIKey is SHWZKEYRVBXYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-18(19-11-16-8-4-10-21-16)13-22-12-15-7-3-6-14-5-1-2-9-17(14)15/h1-10H,11-13H2,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 31087778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).