N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide

C106H117ClN32O22S2 — CID 157249588

About N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide

N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide (PubChem CID 157249588) has the molecular formula C106H117ClN32O22S2 and a molecular weight of 2290.89 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide
• PubChem CID: 157249588
• Molecular Formula: C106H117ClN32O22S2
• Molecular Weight: 2290.89 g/mol
• Exact Mass: 2288.82
• IUPAC Name: N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide
• SMILES: CC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCO2.CSc1ccccc1NC(=O)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(Cl)cc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)NC(c2cccs2)N2CCCC2)n(C)c1=O
• InChI: InChI=1S/C19H21N5O5.C18H20N6O4S.C18H22N6O3S.C17H18ClN5O3.C17H17N5O4.C17H19N5O3/c1-11(12-4-5-13-14(8-12)29-7-6-28-13)21-15(25)9-24-10-20-17-16(24)18(26)23(3)19(27)22(17)2;1-21(17(27)20-11-7-5-6-8-12(11)29-4)13(25)9-24-10-19-15-14(24)16(26)23(3)18(28)22(15)2;1-21-16-14(17(26)22(2)18(21)27)24(11-19-16)10-13(25)20-15(12-6-5-9-28-12)23-7-3-4-8-23;1-9-5-11(18)7-12(6-9)20-15(24)10(2)23-8-19-14-13(23)16(25)22(4)17(26)21(14)3;1-10(23)11-6-4-5-7-12(11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2;1-11-6-4-5-7-12(11)8-18-13(23)9-22-10-19-15-14(22)16(24)21(3)17(25)20(15)2/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,21,25);5-8,10H,9H2,1-4H3,(H,20,27);5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,20,25);5-8,10H,1-4H3,(H,20,24);4-7,9H,8H2,1-3H3,(H,19,24);4-7,10H,8-9H2,1-3H3,(H,18,23)
• InChIKey: AWEKZAPQZHOSFK-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 604.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 49
• Rotatable Bonds: 24
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2290.89
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide?

The IUPAC name of N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide (CID 157249588) is N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide.

What is the SMILES notation for N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide?

The canonical SMILES for N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide is CC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCO2.CSc1ccccc1NC(=O)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(Cl)cc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)NC(c2cccs2)N2CCCC2)n(C)c1=O.

What is the InChIKey of N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide?

The InChIKey is AWEKZAPQZHOSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5.C18H20N6O4S.C18H22N6O3S.C17H18ClN5O3.C17H17N5O4.C17H19N5O3/c1-11(12-4-5-13-14(8-12)29-7-6-28-13)21-15(25)9-24-10-20-17-16(24)18(26)23(3)19(27)22(17)2;1-21(17(27)20-11-7-5-6-8-12(11)29-4)13(25)9-24-10-19-15-14(24)16(26)23(3)18(28)22(15)2;1-21-16-14(17(26)22(2)18(21)27)24(11-19-16)10-13(25)20-15(12-6-5-9-28-12)23-7-3-4-8-23;1-9-5-11(18)7-12(6-9)20-15(24)10(2)23-8-19-14-13(23)16(25)22(4)17(26)21(14)3;1-10(23)11-6-4-5-7-12(11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2;1-11-6-4-5-7-12(11)8-18-13(23)9-22-10-19-15-14(22)16(24)21(3)17(25)20(15)2/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,21,25);5-8,10H,9H2,1-4H3,(H,20,27);5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,20,25);5-8,10H,1-4H3,(H,20,24);4-7,9H,8H2,1-3H3,(H,19,24);4-7,10H,8-9H2,1-3H3,(H,18,23).

What are the key properties of N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide?

N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide has a molecular weight of 2290.89 g/mol, XLogP of 3.26, 24 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylsulfanylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[pyrrolidin-1-yl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 157249588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).