2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide

C14H16N2O3S — CID 10469585

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3S/c1-20-8-4-7-15-12(17)9-16-13(18)10-5-2-3-6-11(10)14(16)19/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyRVYULYAQJCSIMO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.15
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide (PubChem CID 10469585) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
PubChem CID10469585
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3S/c1-20-8-4-7-15-12(17)9-16-13(18)10-5-2-3-6-11(10)14(16)19/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyRVYULYAQJCSIMO-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.15
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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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylsulfanylbutanoate
CID 10337936
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide (CID 10469585) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide is CSCCCNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide?
The InChIKey is RVYULYAQJCSIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20-8-4-7-15-12(17)9-16-13(18)10-5-2-3-6-11(10)14(16)19/h2-3,5-6H,4,7-9H2,1H3,(H,15,17).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 10469585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).