N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C17H16N4O3S — CID 2901805

IUPACN-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-7-8-18-17(19-10)25-14-9-15(23)21(16(14)24)13-5-3-12(4-6-13)20-11(2)22/h3-8,14H,9H2,1-2H3,(H,20,22)
InChIKeyIXFGFQUJGFVZKP-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.17
Rot. Bonds4

About N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 2901805) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID2901805
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-7-8-18-17(19-10)25-14-9-15(23)21(16(14)24)13-5-3-12(4-6-13)20-11(2)22/h3-8,14H,9H2,1-2H3,(H,20,22)
InChIKeyIXFGFQUJGFVZKP-UHFFFAOYSA-N
XLogP2.17
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2(3H)-Thiazolone, 3,4-diMethyl-5-[2-[[4-(1-piperazinyl)phenyl]aMino]-4-pyriMidinyl]-
CID 11257553
1-(4-Bromo-phenyl)-3-(4-methyl-pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2919356
1-(4-Methylphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2891234
3-(4-Methyl-pyrimidin-2-ylsulfanyl)-1-m-tolyl-pyrrolidine-2,5-dione
CID 2920441
3-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 2926831
1-(4-Isopropyl-phenyl)-3-(pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2931560
1-(3,4-Dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione
CID 2932026
3-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 3838402
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 24981851
1-Phenyl-3-(pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2927756
3-(2-Pyrimidinylthio)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2950432
1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10024433

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 2901805) is N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1.
What is the InChIKey of N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is IXFGFQUJGFVZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-7-8-18-17(19-10)25-14-9-15(23)21(16(14)24)13-5-3-12(4-6-13)20-11(2)22/h3-8,14H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 356.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 2901805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).