4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate

C137H162Cl5N35O24S6 — CID 159855476

About 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate

4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate (PubChem CID 159855476) has the molecular formula C137H162Cl5N35O24S6 and a molecular weight of 3052.69 g/mol. Its IUPAC name is 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
• PubChem CID: 159855476
• Molecular Formula: C137H162Cl5N35O24S6
• Molecular Weight: 3052.69 g/mol
• Exact Mass: 3047.93
• IUPAC Name: 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
• SMILES: CC(C)COc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)Oc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CCCOc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CSc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.Nc1nc(OCC2CCCC2)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C30H36ClN7O5S.C28H34ClN7O5S.2C27H32ClN7O5S.C25H28ClN7O4S2/c31-24-11-7-22(8-12-24)18-35-44(40,41)25-13-9-21(10-14-25)17-33-30(39)42-16-4-3-15-38-20-34-26-27(32)36-29(37-28(26)38)43-19-23-5-1-2-6-23;1-19(2)17-41-27-34-25(30)24-26(35-27)36(18-32-24)13-3-4-14-40-28(37)31-15-20-7-11-23(12-8-20)42(38,39)33-16-21-5-9-22(29)10-6-21;1-18(2)40-26-33-24(29)23-25(34-26)35(17-31-23)13-3-4-14-39-27(36)30-15-19-7-11-22(12-8-19)41(37,38)32-16-20-5-9-21(28)10-6-20;1-2-14-39-26-33-24(29)23-25(34-26)35(18-31-23)13-3-4-15-40-27(36)30-16-19-7-11-22(12-8-19)41(37,38)32-17-20-5-9-21(28)10-6-20;1-38-24-31-22(27)21-23(32-24)33(16-29-21)12-2-3-13-37-25(34)28-14-17-6-10-20(11-7-17)39(35,36)30-15-18-4-8-19(26)9-5-18/h7-14,20,23,35H,1-6,15-19H2,(H,33,39)(H2,32,36,37);5-12,18-19,33H,3-4,13-17H2,1-2H3,(H,31,37)(H2,30,34,35);5-12,17-18,32H,3-4,13-16H2,1-2H3,(H,30,36)(H2,29,33,34);5-12,18,32H,2-4,13-17H2,1H3,(H,30,36)(H2,29,33,34);4-11,16,30H,2-3,12-15H2,1H3,(H,28,34)(H2,27,31,32)
• InChIKey: NQLZPSWFTPEPCB-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 807.52 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 50
• Rotatable Bonds: 67
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3052.69
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

The IUPAC name of 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate (CID 159855476) is 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate.

What is the SMILES notation for 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

The canonical SMILES for 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate is CC(C)COc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)Oc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CCCOc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CSc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.Nc1nc(OCC2CCCC2)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1.

What is the InChIKey of 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

The InChIKey is NQLZPSWFTPEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN7O5S.C28H34ClN7O5S.2C27H32ClN7O5S.C25H28ClN7O4S2/c31-24-11-7-22(8-12-24)18-35-44(40,41)25-13-9-21(10-14-25)17-33-30(39)42-16-4-3-15-38-20-34-26-27(32)36-29(37-28(26)38)43-19-23-5-1-2-6-23;1-19(2)17-41-27-34-25(30)24-26(35-27)36(18-32-24)13-3-4-14-40-28(37)31-15-20-7-11-23(12-8-20)42(38,39)33-16-21-5-9-22(29)10-6-21;1-18(2)40-26-33-24(29)23-25(34-26)35(17-31-23)13-3-4-14-39-27(36)30-15-19-7-11-22(12-8-19)41(37,38)32-16-20-5-9-21(28)10-6-20;1-2-14-39-26-33-24(29)23-25(34-26)35(18-31-23)13-3-4-15-40-27(36)30-16-19-7-11-22(12-8-19)41(37,38)32-17-20-5-9-21(28)10-6-20;1-38-24-31-22(27)21-23(32-24)33(16-29-21)12-2-3-13-37-25(34)28-14-17-6-10-20(11-7-17)39(35,36)30-15-18-4-8-19(26)9-5-18/h7-14,20,23,35H,1-6,15-19H2,(H,33,39)(H2,32,36,37);5-12,18-19,33H,3-4,13-17H2,1-2H3,(H,31,37)(H2,30,34,35);5-12,17-18,32H,3-4,13-16H2,1-2H3,(H,30,36)(H2,29,33,34);5-12,18,32H,2-4,13-17H2,1H3,(H,30,36)(H2,29,33,34);4-11,16,30H,2-3,12-15H2,1H3,(H,28,34)(H2,27,31,32).

What are the key properties of 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate has a molecular weight of 3052.69 g/mol, XLogP of 21.14, 67 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 159855476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).