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

C17H14N2O3S — CID 2640778

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O3S/c1-23-12-6-4-5-11(9-12)18-15(20)10-19-16(21)13-7-2-3-8-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyLSBFDNRVVAPXIO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.64
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2640778) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2640778
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O3S/c1-23-12-6-4-5-11(9-12)18-15(20)10-19-16(21)13-7-2-3-8-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyLSBFDNRVVAPXIO-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.64
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-(3-methylsulfanylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2414610
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide
CID 2232863
N-(3-methylsulfanylphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548644
2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 2701920
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 39934079
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53063644
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide
CID 19318756
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 2640778) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is LSBFDNRVVAPXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-23-12-6-4-5-11(9-12)18-15(20)10-19-16(21)13-7-2-3-8-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.64, 4 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-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2640778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).