N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide

C14H16N2O3S — CID 155720606

IUPACN-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide
SMILESCCC(=O)N(CCSC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3S/c1-3-12(17)15(8-9-20-2)16-13(18)10-6-4-5-7-11(10)14(16)19/h4-7H,3,8-9H2,1-2H3
InChIKeyANELNABKBZAGFU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.80
Rot. Bonds5

About N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide

N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide (PubChem CID 155720606) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide
PubChem CID155720606
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide
SMILESCCC(=O)N(CCSC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3S/c1-3-12(17)15(8-9-20-2)16-13(18)10-6-4-5-7-11(10)14(16)19/h4-7H,3,8-9H2,1-2H3
InChIKeyANELNABKBZAGFU-UHFFFAOYSA-N
XLogP1.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-ethyl N-(2-amino-2-oxoethyl)-N-(1,3-dioxoisoindol-2-yl)carbamothioate
CID 155637516
S-ethyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamothioate
CID 155280964
methyl 2-[[benzyl-(1,3-dioxoisoindol-2-yl)carbamoyl]amino]-4-methylsulfanylbutanoate
CID 155279531
2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl chloride
CID 14297354
(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
CID 70639006
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 10469585
2-methylsulfanylethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 102250503
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 2666838
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 2666840
2-(propyldisulfanyl)isoindole-1,3-dione
CID 12761629
N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 139187245

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide (CID 155720606) is N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide is CCC(=O)N(CCSC)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is ANELNABKBZAGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-12(17)15(8-9-20-2)16-13(18)10-6-4-5-7-11(10)14(16)19/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide?
N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 155720606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).