N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide

C16H12N2O3S — CID 4606982

IUPACN-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H12N2O3S/c19-14(9-22-11-4-2-1-3-5-11)17-10-6-7-12-13(8-10)16(21)18-15(12)20/h1-8H,9H2,(H,17,19)(H,18,20,21)
InChIKeyNAEPWSCMUMVBNC-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.30
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide

N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide (PubChem CID 4606982) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide
PubChem CID4606982
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H12N2O3S/c19-14(9-22-11-4-2-1-3-5-11)17-10-6-7-12-13(8-10)16(21)18-15(12)20/h1-8H,9H2,(H,17,19)(H,18,20,21)
InChIKeyNAEPWSCMUMVBNC-UHFFFAOYSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dianilinophthalimide
CID 1697
5-Amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
CID 1202104
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
N-(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-phenylacetamide
CID 973563
N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide
CID 2673406
N-(2,3-dimethylphenyl)-4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzamide
CID 4440481
4-[4-Oxo-4-(thiophen-2-yl)butanamido]benzamide
CID 9441864
4-Monophenylamino-N-methylphthalimid
CID 46230999
N-(4-Methylphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597000
4-Amino-N-(2,6-dimethylphenyl)phthalimide
CID 124031
1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]-
CID 662683
(Z)-N-(4-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl)acetamide
CID 786578

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide (CID 4606982) is N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide?
The InChIKey is NAEPWSCMUMVBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-14(9-22-11-4-2-1-3-5-11)17-10-6-7-12-13(8-10)16(21)18-15(12)20/h1-8H,9H2,(H,17,19)(H,18,20,21).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide?
N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide has a molecular weight of 312.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 4606982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).