3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid

C194H271N13O27S6 — CID 159466140

About 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid

3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid (PubChem CID 159466140) has the molecular formula C194H271N13O27S6 and a molecular weight of 3409.77 g/mol. Its IUPAC name is 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid
• PubChem CID: 159466140
• Molecular Formula: C194H271N13O27S6
• Molecular Weight: 3409.77 g/mol
• Exact Mass: 3406.86
• IUPAC Name: 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid
• SMILES: C=C(OC(C)(C)C)N1CCC(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC(C)(C)C)sc3C(=O)O)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(OC3CCCCC3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(O[C@@H]3CO[C@H]4OCC[C@H]43)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(Oc3ccnc(CN(C)C)c3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(Oc3ccnc(CN4CCCC4)c3)CC2)CC1.Cc1ccc(OCC[C@H](C)N(C(=O)C2CCC(C)CC2)c2cc(C#CC(C)(C)C)sc2C(=O)O)nn1
• InChI: InChI=1S/C36H54N2O5S.C35H47N3O4S.C33H45N3O4S.C31H43NO6S.C31H45NO4S.C28H37N3O4S/c1-24-9-11-26(12-10-24)33(39)38(31-23-30(17-20-35(3,4)5)44-32(31)34(40)41)27-13-15-28(16-14-27)42-29-18-21-37(22-19-29)25(2)43-36(6,7)8;1-24-7-9-25(10-8-24)33(39)38(31-22-30(15-17-35(2,3)4)43-32(31)34(40)41)27-11-13-28(14-12-27)42-29-16-18-36-26(21-29)23-37-19-5-6-20-37;1-22-7-9-23(10-8-22)31(37)36(29-20-28(15-17-33(2,3)4)41-30(29)32(38)39)25-11-13-26(14-12-25)40-27-16-18-34-24(19-27)21-35(5)6;1-19-5-7-20(8-6-19)28(33)32(25-17-23(13-15-31(2,3)4)39-27(25)29(34)35)21-9-11-22(12-10-21)38-26-18-37-30-24(26)14-16-36-30;1-21-10-12-22(13-11-21)29(33)32(23-14-16-25(17-15-23)36-24-8-6-5-7-9-24)27-20-26(18-19-31(2,3)4)37-28(27)30(34)35;1-18-7-10-21(11-8-18)26(32)31(20(3)14-16-35-24-12-9-19(2)29-30-24)23-17-22(13-15-28(4,5)6)36-25(23)27(33)34/h23-24,26-29H,2,9-16,18-19,21-22H2,1,3-8H3,(H,40,41);16,18,21-22,24-25,27-28H,5-14,19-20,23H2,1-4H3,(H,40,41);16,18-20,22-23,25-26H,7-14,21H2,1-6H3,(H,38,39);17,19-22,24,26,30H,5-12,14,16,18H2,1-4H3,(H,34,35);20-25H,5-17H2,1-4H3,(H,34,35);9,12,17-18,20-21H,7-8,10-11,14,16H2,1-6H3,(H,33,34)/t;;;19?,20?,21?,22?,24-,26+,30+;;18?,20-,21?/m...0.0/s1
• InChIKey: LVFBFRARVVSOSP-UAJNNXJCSA-N
• XLogP: 42.03
• TPSA: 490.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 44
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3409.77
LogP ≤ 5	42.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid?

The IUPAC name of 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid (CID 159466140) is 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid.

What is the SMILES notation for 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid?

The canonical SMILES for 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid is C=C(OC(C)(C)C)N1CCC(OC2CCC(N(C(=O)C3CCC(C)CC3)c3cc(C#CC(C)(C)C)sc3C(=O)O)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(OC3CCCCC3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(O[C@@H]3CO[C@H]4OCC[C@H]43)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(Oc3ccnc(CN(C)C)c3)CC2)CC1.CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(Oc3ccnc(CN4CCCC4)c3)CC2)CC1.Cc1ccc(OCC[C@H](C)N(C(=O)C2CCC(C)CC2)c2cc(C#CC(C)(C)C)sc2C(=O)O)nn1.

What is the InChIKey of 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid?

The InChIKey is LVFBFRARVVSOSP-UAJNNXJCSA-N. The full InChI is InChI=1S/C36H54N2O5S.C35H47N3O4S.C33H45N3O4S.C31H43NO6S.C31H45NO4S.C28H37N3O4S/c1-24-9-11-26(12-10-24)33(39)38(31-23-30(17-20-35(3,4)5)44-32(31)34(40)41)27-13-15-28(16-14-27)42-29-18-21-37(22-19-29)25(2)43-36(6,7)8;1-24-7-9-25(10-8-24)33(39)38(31-22-30(15-17-35(2,3)4)43-32(31)34(40)41)27-11-13-28(14-12-27)42-29-16-18-36-26(21-29)23-37-19-5-6-20-37;1-22-7-9-23(10-8-22)31(37)36(29-20-28(15-17-33(2,3)4)41-30(29)32(38)39)25-11-13-26(14-12-25)40-27-16-18-34-24(19-27)21-35(5)6;1-19-5-7-20(8-6-19)28(33)32(25-17-23(13-15-31(2,3)4)39-27(25)29(34)35)21-9-11-22(12-10-21)38-26-18-37-30-24(26)14-16-36-30;1-21-10-12-22(13-11-21)29(33)32(23-14-16-25(17-15-23)36-24-8-6-5-7-9-24)27-20-26(18-19-31(2,3)4)37-28(27)30(34)35;1-18-7-10-21(11-8-18)26(32)31(20(3)14-16-35-24-12-9-19(2)29-30-24)23-17-22(13-15-28(4,5)6)36-25(23)27(33)34/h23-24,26-29H,2,9-16,18-19,21-22H2,1,3-8H3,(H,40,41);16,18,21-22,24-25,27-28H,5-14,19-20,23H2,1-4H3,(H,40,41);16,18-20,22-23,25-26H,7-14,21H2,1-6H3,(H,38,39);17,19-22,24,26,30H,5-12,14,16,18H2,1-4H3,(H,34,35);20-25H,5-17H2,1-4H3,(H,34,35);9,12,17-18,20-21H,7-8,10-11,14,16H2,1-6H3,(H,33,34)/t;;;19?,20?,21?,22?,24-,26+,30+;;18?,20-,21?/m...0.0/s1.

What are the key properties of 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid?

3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid has a molecular weight of 3409.77 g/mol, XLogP of 42.03, 44 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[(4-cyclohexyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]oxycyclohexyl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-(6-methylpyridazin-3-yl)oxybutan-2-yl]amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]cyclohexyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 159466140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).