2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione

C119H112N30O18S6 — CID 158448650

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione (PubChem CID 158448650) has the molecular formula C119H112N30O18S6 and a molecular weight of 2442.80 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione.

Molecular Properties

• Compound Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione
• PubChem CID: 158448650
• Molecular Formula: C119H112N30O18S6
• Molecular Weight: 2442.80 g/mol
• Exact Mass: 2440.71
• IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione
• SMILES: Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)cs2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)s2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cncs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O
• InChI: InChI=1S/2C21H21N5O3S.C21H20N4O3S.2C19H17N5O3S.C18H16N6O3S/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)11-3-6-17(27)23-15-9-7-14(8-10-15)16-5-4-12-30-16;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)10-3-4-17(27)23-16-7-5-14(6-8-16)15-9-11-30-12-15;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)9-7-17(26)11-14-3-5-15(6-4-14)16-8-10-29-12-16;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)9-14(25)21-15-8-13(10-28-15)12-6-4-3-5-7-12;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-14(25)21-15-9-8-13(28-15)12-6-4-3-5-7-12;1-22-16-15(17(26)23(2)18(22)27)24(9-20-16)8-14(25)21-12-5-3-11(4-6-12)13-7-19-10-28-13/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,27);5-9,11-13H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12-13H,7,9,11H2,1-2H3;3-8,10-11H,9H2,1-2H3,(H,21,25);3-9,11H,10H2,1-2H3,(H,21,25);3-7,9-10H,8H2,1-2H3,(H,21,25)
• InChIKey: HDRWSBVZAMSJMY-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 546.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 49
• Rotatable Bonds: 30
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.80
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?

The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione (CID 158448650) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione.

What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?

The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione is Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)cs2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)s2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cncs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.

What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?

The InChIKey is HDRWSBVZAMSJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N5O3S.C21H20N4O3S.2C19H17N5O3S.C18H16N6O3S/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)11-3-6-17(27)23-15-9-7-14(8-10-15)16-5-4-12-30-16;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)10-3-4-17(27)23-16-7-5-14(6-8-16)15-9-11-30-12-15;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)9-7-17(26)11-14-3-5-15(6-4-14)16-8-10-29-12-16;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)9-14(25)21-15-8-13(10-28-15)12-6-4-3-5-7-12;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-14(25)21-15-9-8-13(28-15)12-6-4-3-5-7-12;1-22-16-15(17(26)23(2)18(22)27)24(9-20-16)8-14(25)21-12-5-3-11(4-6-12)13-7-19-10-28-13/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,27);5-9,11-13H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12-13H,7,9,11H2,1-2H3;3-8,10-11H,9H2,1-2H3,(H,21,25);3-9,11H,10H2,1-2H3,(H,21,25);3-7,9-10H,8H2,1-2H3,(H,21,25).

What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione has a molecular weight of 2442.80 g/mol, XLogP of 12.32, 30 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylthiophen-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione is sourced from PubChem (CID 158448650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).