N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide

C15H16N2O4S — CID 153346651

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CSCC(=O)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O4S/c1-10(18)8-22-9-13(19)16-6-7-17-14(20)11-4-2-3-5-12(11)15(17)21/h2-5H,6-9H2,1H3,(H,16,19)
InChIKeyAKVLGATXKHSMED-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.72
Rot. Bonds7

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide (PubChem CID 153346651) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide
PubChem CID153346651
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CSCC(=O)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O4S/c1-10(18)8-22-9-13(19)16-6-7-17-14(20)11-4-2-3-5-12(11)15(17)21/h2-5H,6-9H2,1H3,(H,16,19)
InChIKeyAKVLGATXKHSMED-UHFFFAOYSA-N
XLogP0.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506358
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 139516916
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
3-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 55379953
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 113083485
1-butan-2-yl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874830
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide (CID 153346651) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide is CC(=O)CSCC(=O)NCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide?
The InChIKey is AKVLGATXKHSMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10(18)8-22-9-13(19)16-6-7-17-14(20)11-4-2-3-5-12(11)15(17)21/h2-5H,6-9H2,1H3,(H,16,19).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide is sourced from PubChem (CID 153346651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).