3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide

C14H16N2O3S — CID 18128156

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H16N2O3S/c1-20-11-4-2-10(3-5-11)15-12(17)8-9-16-13(18)6-7-14(16)19/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyGWOQBDRFHFLWPI-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.89
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 18128156) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID18128156
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H16N2O3S/c1-20-11-4-2-10(3-5-11)15-12(17)8-9-16-13(18)6-7-14(16)19/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyGWOQBDRFHFLWPI-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447501
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
CID 17035124
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
CID 52507961
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 37193063

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide (CID 18128156) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is GWOQBDRFHFLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20-11-4-2-10(3-5-11)15-12(17)8-9-16-13(18)6-7-14(16)19/h2-5H,6-9H2,1H3,(H,15,17).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 18128156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).