oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C109H164N12O22S8 — CID 163582997

About oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 163582997) has the molecular formula C109H164N12O22S8 and a molecular weight of 2251.11 g/mol. Its IUPAC name is oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 163582997
• Molecular Formula: C109H164N12O22S8
• Molecular Weight: 2251.11 g/mol
• Exact Mass: 2248.98
• IUPAC Name: oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CC(C)COCc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(C)COCc1ccc(-c2cnc(C3CCC(NC(=O)OC4COC4)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CCCCOc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.COCCOc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1
• InChI: InChI=1S/C28H41N3O6S2.C28H43N3O5S2.C27H41N3O5S2.C26H39N3O6S2/c1-18(2)14-35-15-19-6-11-23(25(12-19)39(33,34)31-28(3,4)5)24-13-29-26(38-24)20-7-9-21(10-8-20)30-27(32)37-22-16-36-17-22;1-18(2)16-35-17-20-8-13-23(25(14-20)38(33,34)31-28(5,6)7)24-15-29-26(37-24)21-9-11-22(12-10-21)30-27(32)36-19(3)4;1-7-8-15-34-21-13-14-22(24(16-21)37(32,33)30-27(4,5)6)23-17-28-25(36-23)19-9-11-20(12-10-19)29-26(31)35-18(2)3;1-17(2)35-25(30)28-19-9-7-18(8-10-19)24-27-16-22(36-24)21-12-11-20(34-14-13-33-6)15-23(21)37(31,32)29-26(3,4)5/h6,11-13,18,20-22,31H,7-10,14-17H2,1-5H3,(H,30,32);8,13-15,18-19,21-22,31H,9-12,16-17H2,1-7H3,(H,30,32);13-14,16-20,30H,7-12,15H2,1-6H3,(H,29,31);11-12,15-19,29H,7-10,13-14H2,1-6H3,(H,28,30)
• InChIKey: GJCZCEZFJQMWTO-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 444.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.11
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

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 oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 163582997) is oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)COCc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(C)COCc1ccc(-c2cnc(C3CCC(NC(=O)OC4COC4)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CCCCOc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.COCCOc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)NC(C)(C)C)c1.

What is the InChIKey of oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is GJCZCEZFJQMWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O6S2.C28H43N3O5S2.C27H41N3O5S2.C26H39N3O6S2/c1-18(2)14-35-15-19-6-11-23(25(12-19)39(33,34)31-28(3,4)5)24-13-29-26(38-24)20-7-9-21(10-8-20)30-27(32)37-22-16-36-17-22;1-18(2)16-35-17-20-8-13-23(25(14-20)38(33,34)31-28(5,6)7)24-15-29-26(37-24)21-9-11-22(12-10-21)30-27(32)36-19(3)4;1-7-8-15-34-21-13-14-22(24(16-21)37(32,33)30-27(4,5)6)23-17-28-25(36-23)19-9-11-20(12-10-19)29-26(31)35-18(2)3;1-17(2)35-25(30)28-19-9-7-18(8-10-19)24-27-16-22(36-24)21-12-11-20(34-14-13-33-6)15-23(21)37(31,32)29-26(3,4)5/h6,11-13,18,20-22,31H,7-10,14-17H2,1-5H3,(H,30,32);8,13-15,18-19,21-22,31H,9-12,16-17H2,1-7H3,(H,30,32);13-14,16-20,30H,7-12,15H2,1-6H3,(H,29,31);11-12,15-19,29H,7-10,13-14H2,1-6H3,(H,28,30).

What are the key properties of oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 2251.11 g/mol, XLogP of 22.73, 40 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-butoxy-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(2-methylpropoxymethyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 163582997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).