2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide

C22H18N2O3S — CID 2308727

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide
SMILESO=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3S/c25-20(23-17-10-9-15-5-1-2-6-16(15)13-17)14-28-12-11-24-21(26)18-7-3-4-8-19(18)22(24)27/h1-10,13H,11-12,14H2,(H,23,25)
InChIKeyFASJNJTXPYTKMF-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.81
Rot. Bonds6

About 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide

2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide (PubChem CID 2308727) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide
PubChem CID2308727
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide
SMILESO=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3S/c25-20(23-17-10-9-15-5-1-2-6-16(15)13-17)14-28-12-11-24-21(26)18-7-3-4-8-19(18)22(24)27/h1-10,13H,11-12,14H2,(H,23,25)
InChIKeyFASJNJTXPYTKMF-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide (CID 2308727) is 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide is O=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide?
The InChIKey is FASJNJTXPYTKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-20(23-17-10-9-15-5-1-2-6-16(15)13-17)14-28-12-11-24-21(26)18-7-3-4-8-19(18)22(24)27/h1-10,13H,11-12,14H2,(H,23,25).
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide?
2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide has a molecular weight of 390.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 2308727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).