N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C18H18N2O3S — CID 18162076

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCCSCc1ccco1
InChIInChI=1S/C18H18N2O3S/c1-13-15-6-2-3-7-16(15)18(22)20(13)11-17(21)19-8-10-24-12-14-5-4-9-23-14/h2-7,9H,1,8,10-12H2,(H,19,21)
InChIKeyMZZYXQIBLWWZTJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 18162076) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID18162076
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCCSCc1ccco1
InChIInChI=1S/C18H18N2O3S/c1-13-15-6-2-3-7-16(15)18(22)20(13)11-17(21)19-8-10-24-12-14-5-4-9-23-14/h2-7,9H,1,8,10-12H2,(H,19,21)
InChIKeyMZZYXQIBLWWZTJ-UHFFFAOYSA-N
XLogP2.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.76
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-(furan-2-yl)-2-hydroxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86981058
2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 28591663
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide
CID 18113744
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 38463251
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157247
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16613855
N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 10469585
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 113201627
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(2,4-dimethylquinolin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113732
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 18162076) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is MZZYXQIBLWWZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-15-6-2-3-7-16(15)18(22)20(13)11-17(21)19-8-10-24-12-14-5-4-9-23-14/h2-7,9H,1,8,10-12H2,(H,19,21).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.76, 7 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-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 18162076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).