N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide

C126H133ClN36O24S2 — CID 159374493

IUPACN-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1.CCOc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.COc1ccc(C)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CSc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(-c2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl.Cc1cccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H23N5O5.C20H20N6O3S.C17H19N5O4.2C17H19N5O3.C16H16ClN5O3.C16H17N5O3S/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;1-11-5-7-13(8-6-11)15-12(2)30-19(23-15)22-14(27)9-26-10-21-17-16(26)18(28)25(4)20(29)24(17)3;1-10-5-6-12(26-4)11(7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(3)17(25)20(15)2;1-11-5-4-6-12(7-11)8-18-13(23)9-22-10-19-15-14(22)16(24)21(3)17(25)20(15)2;1-4-22(12-8-6-5-7-9-12)13(23)10-21-11-18-15-14(21)16(24)20(3)17(25)19(15)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;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-5-4-6-11(7-10)25-3/h5-12,14H,4,13H2,1-3H3,(H,25,29);5-8,10H,9H2,1-4H3,(H,22,23,27);5-7,9H,8H2,1-4H3,(H,19,23);4-7,10H,8-9H2,1-3H3,(H,18,23);5-9,11H,4,10H2,1-3H3;4-6,8H,7H2,1-3H3,(H,19,23);4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyLKDDMHVFBULAPG-UHFFFAOYSA-N
MW2635.26 g/mol
LogP6.84
Rot. Bonds30

About N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide

N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 159374493) has the molecular formula C126H133ClN36O24S2 and a molecular weight of 2635.26 g/mol. Its IUPAC name is N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID159374493
Molecular FormulaC126H133ClN36O24S2
Molecular Weight2635.26 g/mol
Exact Mass2632.94
IUPAC NameN-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1.CCOc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.COc1ccc(C)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CSc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(-c2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl.Cc1cccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H23N5O5.C20H20N6O3S.C17H19N5O4.2C17H19N5O3.C16H16ClN5O3.C16H17N5O3S/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;1-11-5-7-13(8-6-11)15-12(2)30-19(23-15)22-14(27)9-26-10-21-17-16(26)18(28)25(4)20(29)24(17)3;1-10-5-6-12(26-4)11(7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(3)17(25)20(15)2;1-11-5-4-6-12(7-11)8-18-13(23)9-22-10-19-15-14(22)16(24)21(3)17(25)20(15)2;1-4-22(12-8-6-5-7-9-12)13(23)10-21-11-18-15-14(21)16(24)20(3)17(25)19(15)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;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-5-4-6-11(7-10)25-3/h5-12,14H,4,13H2,1-3H3,(H,25,29);5-8,10H,9H2,1-4H3,(H,22,23,27);5-7,9H,8H2,1-4H3,(H,19,23);4-7,10H,8-9H2,1-3H3,(H,18,23);5-9,11H,4,10H2,1-3H3;4-6,8H,7H2,1-3H3,(H,19,23);4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyLKDDMHVFBULAPG-UHFFFAOYSA-N
XLogP6.84
TPSA668.23 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds30
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002635.26
LogP ≤ 56.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Analyze N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 159416427
N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 123443738
N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylmethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 157734853
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-4-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-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 157918361
N-(3-chloro-4-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 158610947
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 159374493) is N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide is CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1.CCOc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.COc1ccc(C)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CSc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(-c2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl.Cc1cccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is LKDDMHVFBULAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5.C20H20N6O3S.C17H19N5O4.2C17H19N5O3.C16H16ClN5O3.C16H17N5O3S/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;1-11-5-7-13(8-6-11)15-12(2)30-19(23-15)22-14(27)9-26-10-21-17-16(26)18(28)25(4)20(29)24(17)3;1-10-5-6-12(26-4)11(7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(3)17(25)20(15)2;1-11-5-4-6-12(7-11)8-18-13(23)9-22-10-19-15-14(22)16(24)21(3)17(25)20(15)2;1-4-22(12-8-6-5-7-9-12)13(23)10-21-11-18-15-14(21)16(24)20(3)17(25)19(15)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;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-5-4-6-11(7-10)25-3/h5-12,14H,4,13H2,1-3H3,(H,25,29);5-8,10H,9H2,1-4H3,(H,22,23,27);5-7,9H,8H2,1-4H3,(H,19,23);4-7,10H,8-9H2,1-3H3,(H,18,23);5-9,11H,4,10H2,1-3H3;4-6,8H,7H2,1-3H3,(H,19,23);4-7,9H,8H2,1-3H3,(H,18,22).
What are the key properties of N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide?
N-(3-chloro-4-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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 2635.26 g/mol, XLogP of 6.84, 30 rotatable bonds, 6 hydrogen bond donors, and 55 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;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-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 159374493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).