2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide

C94H103FN26O16S — CID 123423677

About 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide

2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 123423677) has the molecular formula C94H103FN26O16S and a molecular weight of 1904.09 g/mol. Its IUPAC name is 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 123423677
• Molecular Formula: C94H103FN26O16S
• Molecular Weight: 1904.09 g/mol
• Exact Mass: 1902.78
• IUPAC Name: 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CC(C)c1ccc(NC(=O)C(C)(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1cc(F)cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Sc2ccccc2)n(C)c1=O
• InChI: InChI=1S/C21H19N5O3S.C20H25N5O3.C19H22N6O4.C18H21N5O3.C16H16FN5O3/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-15-10-6-7-11-16(15)30-14-8-4-3-5-9-14;1-12(2)13-7-9-14(10-8-13)22-18(27)20(3,4)25-11-21-16-15(25)17(26)24(6)19(28)23(16)5;1-11(2)21-17(27)12-7-5-6-8-13(12)22-14(26)9-25-10-20-16-15(25)18(28)24(4)19(29)23(16)3;1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-9-4-10(17)6-11(5-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2/h3-11,13H,12H2,1-2H3,(H,23,27);7-12H,1-6H3,(H,22,27);5-8,10-11H,9H2,1-4H3,(H,21,27)(H,22,26);5-8,10-11H,9H2,1-4H3,(H,20,24);4-6,8H,7H2,1-3H3,(H,19,23)
• InChIKey: PKJGVXVNWWRNEB-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 483.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.09
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 123423677) is 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CC(C)c1ccc(NC(=O)C(C)(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1cc(F)cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Sc2ccccc2)n(C)c1=O.

What is the InChIKey of 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is PKJGVXVNWWRNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S.C20H25N5O3.C19H22N6O4.C18H21N5O3.C16H16FN5O3/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-15-10-6-7-11-16(15)30-14-8-4-3-5-9-14;1-12(2)13-7-9-14(10-8-13)22-18(27)20(3,4)25-11-21-16-15(25)17(26)24(6)19(28)23(16)5;1-11(2)21-17(27)12-7-5-6-8-13(12)22-14(26)9-25-10-20-16-15(25)18(28)24(4)19(29)23(16)3;1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-9-4-10(17)6-11(5-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2/h3-11,13H,12H2,1-2H3,(H,23,27);7-12H,1-6H3,(H,22,27);5-8,10-11H,9H2,1-4H3,(H,21,27)(H,22,26);5-8,10-11H,9H2,1-4H3,(H,20,24);4-6,8H,7H2,1-3H3,(H,19,23).

What are the key properties of 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 1904.09 g/mol, XLogP of 6.08, 21 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-propan-2-ylbenzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 123423677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).