2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C22H32N6O5S — CID 4843872

IUPAC2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1=O
InChIInChI=1S/C22H32N6O5S/c1-4-11-27-20(23)19(26-12-6-5-7-13-26)21(30)28(22(27)31)15-18(29)24-16-9-8-10-17(14-16)34(32,33)25(2)3/h8-10,14H,4-7,11-13,15,23H2,1-3H3,(H,24,29)
InChIKeyJJVFAATVZBABIA-UHFFFAOYSA-N
MW492.60 g/mol
LogP0.88
Rot. Bonds8

About 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4843872) has the molecular formula C22H32N6O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4843872
Molecular FormulaC22H32N6O5S
Molecular Weight492.60 g/mol
Exact Mass492.22
IUPAC Name2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1=O
InChIInChI=1S/C22H32N6O5S/c1-4-11-27-20(23)19(26-12-6-5-7-13-26)21(30)28(22(27)31)15-18(29)24-16-9-8-10-17(14-16)34(32,33)25(2)3/h8-10,14H,4-7,11-13,15,23H2,1-3H3,(H,24,29)
InChIKeyJJVFAATVZBABIA-UHFFFAOYSA-N
XLogP0.88
TPSA139.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 2124224
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9355178
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 25465292
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 39915561
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 39915571
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55500426
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 9355194
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 16582070
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methylindol-1-yl)acetamide
CID 26689900

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4843872) is 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1=O.
What is the InChIKey of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is JJVFAATVZBABIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O5S/c1-4-11-27-20(23)19(26-12-6-5-7-13-26)21(30)28(22(27)31)15-18(29)24-16-9-8-10-17(14-16)34(32,33)25(2)3/h8-10,14H,4-7,11-13,15,23H2,1-3H3,(H,24,29).
What are the key properties of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 492.60 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4843872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).