N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

C117H116Cl2N32O20S2 — CID 160551648

About N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 160551648) has the molecular formula C117H116Cl2N32O20S2 and a molecular weight of 2425.46 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 160551648
• Molecular Formula: C117H116Cl2N32O20S2
• Molecular Weight: 2425.46 g/mol
• Exact Mass: 2422.79
• IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CCCc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.CCOc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.CCc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)cc2)n(C)c1=O
• InChI: InChI=1S/C23H23N5O5.C21H22N6O3S.C21H19N5O3.C20H20N6O3S.2C16H16ClN5O3/c1-4-32-16-9-11-18(12-10-16)33-17-7-5-15(6-8-17)25-19(29)13-28-14-24-21-20(28)22(30)27(3)23(31)26(21)2;1-4-5-13-6-8-14(9-7-13)15-11-31-20(23-15)24-16(28)10-27-12-22-18-17(27)19(29)26(3)21(30)25(18)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-4-12-5-7-13(8-6-12)14-10-30-19(22-14)23-15(27)9-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2;1-9-4-5-10(6-11(9)17)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-10(17)6-11(9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2/h5-12,14H,4,13H2,1-3H3,(H,25,29);6-9,11-12H,4-5,10H2,1-3H3,(H,23,24,28);3-11,13H,12H2,1-2H3,(H,23,27);5-8,10-11H,4,9H2,1-3H3,(H,22,23,27);2*4-6,8H,7H2,1-3H3,(H,19,23)
• InChIKey: QYDPTXREGHYHHH-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 589.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 48
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2425.46
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 160551648) is N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.CCOc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.CCc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)cc2)n(C)c1=O.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is QYDPTXREGHYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5.C21H22N6O3S.C21H19N5O3.C20H20N6O3S.2C16H16ClN5O3/c1-4-32-16-9-11-18(12-10-16)33-17-7-5-15(6-8-17)25-19(29)13-28-14-24-21-20(28)22(30)27(3)23(31)26(21)2;1-4-5-13-6-8-14(9-7-13)15-11-31-20(23-15)24-16(28)10-27-12-22-18-17(27)19(29)26(3)21(30)25(18)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-4-12-5-7-13(8-6-12)14-10-30-19(22-14)23-15(27)9-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2;1-9-4-5-10(6-11(9)17)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-10(17)6-11(9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2/h5-12,14H,4,13H2,1-3H3,(H,25,29);6-9,11-12H,4-5,10H2,1-3H3,(H,23,24,28);3-11,13H,12H2,1-2H3,(H,23,27);5-8,10-11H,4,9H2,1-3H3,(H,22,23,27);2*4-6,8H,7H2,1-3H3,(H,19,23).

What are the key properties of N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 2425.46 g/mol, XLogP of 9.98, 28 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 160551648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).