N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C24H24N4O3S — CID 30703287

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)COc3cccc(N4CCCC4=O)c3)cc2)n1
InChIInChI=1S/C24H24N4O3S/c1-16-13-17(2)26-24(25-16)32-21-10-8-18(9-11-21)27-22(29)15-31-20-6-3-5-19(14-20)28-12-4-7-23(28)30/h3,5-6,8-11,13-14H,4,7,12,15H2,1-2H3,(H,27,29)
InChIKeyVGDWFPCZMCQTOO-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.39
Rot. Bonds7

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 30703287) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID30703287
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)COc3cccc(N4CCCC4=O)c3)cc2)n1
InChIInChI=1S/C24H24N4O3S/c1-16-13-17(2)26-24(25-16)32-21-10-8-18(9-11-21)27-22(29)15-31-20-6-3-5-19(14-20)28-12-4-7-23(28)30/h3,5-6,8-11,13-14H,4,7,12,15H2,1-2H3,(H,27,29)
InChIKeyVGDWFPCZMCQTOO-UHFFFAOYSA-N
XLogP4.39
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide with MolForge

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Related Compounds

2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 43021553
2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41458994
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8731531
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 30703287) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is Cc1cc(C)nc(Sc2ccc(NC(=O)COc3cccc(N4CCCC4=O)c3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is VGDWFPCZMCQTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-16-13-17(2)26-24(25-16)32-21-10-8-18(9-11-21)27-22(29)15-31-20-6-3-5-19(14-20)28-12-4-7-23(28)30/h3,5-6,8-11,13-14H,4,7,12,15H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 448.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 30703287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).