N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid

C126H147Cl10F4N25O26S9 — CID 159551920

IUPACN-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid
SMILESCCN(CC)C(=O)c1nc(-c2nnc(CC(C)(C)O)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CCN(CC)C(=O)c1nc(-c2nnc(CC(C)(C)OC=O)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C#N)o3)nc2C(=O)N2CCC(F)CC2)c(Cl)c1Cl.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2C(=O)N2CCCC[C@@H]2C)c(Cl)c1Cl.C[C@H]1CCCCN1C(=O)c1nc(-c2nnc(CC(C)(C)C(=O)O)o2)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C27H33Cl2N5O6S2.C26H27Cl2F3N4O5S.C26H29Cl2FN6O4S2.C24H29Cl2N5O6S2.C23H29Cl2N5O5S2/c1-6-15(2)33-42(37,38)18-11-10-17(20(28)21(18)29)23-22(26(36)34-12-8-7-9-16(34)3)30-25(41-23)24-32-31-19(40-24)13-27(4,5)39-14-35;1-12-7-5-6-10-35(12)22(36)18-19(13-8-9-14(17(28)16(13)27)25(4,39)26(29,30)31)41-21(32-18)20-34-33-15(40-20)11-24(2,3)23(37)38;1-5-14(2)34-41(37,38)17-7-6-16(19(27)20(17)28)22-21(25(36)35-10-8-15(29)9-11-35)31-24(40-22)23-33-32-18(39-23)12-26(3,4)13-30;1-7-31(8-2)23(33)19-20(14-9-10-15(18(26)17(14)25)39(34,35)30-13(3)4)38-22(27-19)21-29-28-16(37-21)11-24(5,6)36-12-32;1-7-30(8-2)22(31)18-19(36-21(26-18)20-28-27-15(35-20)11-23(5,6)32)13-9-10-14(17(25)16(13)24)37(33,34)29-12(3)4/h10-11,14-16,33H,6-9,12-13H2,1-5H3;8-9,12,39H,5-7,10-11H2,1-4H3,(H,37,38);6-7,14-15,34H,5,8-12H2,1-4H3;9-10,12-13,30H,7-8,11H2,1-6H3;9-10,12,29,32H,7-8,11H2,1-6H3/t15-,16+;12-,25?;14-;;/m101../s1
InChIKeyMFMQTLNMMGENFU-JVHOVUCASA-N
MW3146.84 g/mol
LogP27.75
Rot. Bonds49

About N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid

N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid (PubChem CID 159551920) has the molecular formula C126H147Cl10F4N25O26S9 and a molecular weight of 3146.84 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid
PubChem CID159551920
Molecular FormulaC126H147Cl10F4N25O26S9
Molecular Weight3146.84 g/mol
Exact Mass3139.53
IUPAC NameN-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid
SMILESCCN(CC)C(=O)c1nc(-c2nnc(CC(C)(C)O)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CCN(CC)C(=O)c1nc(-c2nnc(CC(C)(C)OC=O)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C#N)o3)nc2C(=O)N2CCC(F)CC2)c(Cl)c1Cl.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2C(=O)N2CCCC[C@@H]2C)c(Cl)c1Cl.C[C@H]1CCCCN1C(=O)c1nc(-c2nnc(CC(C)(C)C(=O)O)o2)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C27H33Cl2N5O6S2.C26H27Cl2F3N4O5S.C26H29Cl2FN6O4S2.C24H29Cl2N5O6S2.C23H29Cl2N5O5S2/c1-6-15(2)33-42(37,38)18-11-10-17(20(28)21(18)29)23-22(26(36)34-12-8-7-9-16(34)3)30-25(41-23)24-32-31-19(40-24)13-27(4,5)39-14-35;1-12-7-5-6-10-35(12)22(36)18-19(13-8-9-14(17(28)16(13)27)25(4,39)26(29,30)31)41-21(32-18)20-34-33-15(40-20)11-24(2,3)23(37)38;1-5-14(2)34-41(37,38)17-7-6-16(19(27)20(17)28)22-21(25(36)35-10-8-15(29)9-11-35)31-24(40-22)23-33-32-18(39-23)12-26(3,4)13-30;1-7-31(8-2)23(33)19-20(14-9-10-15(18(26)17(14)25)39(34,35)30-13(3)4)38-22(27-19)21-29-28-16(37-21)11-24(5,6)36-12-32;1-7-30(8-2)22(31)18-19(36-21(26-18)20-28-27-15(35-20)11-23(5,6)32)13-9-10-14(17(25)16(13)24)37(33,34)29-12(3)4/h10-11,14-16,33H,6-9,12-13H2,1-5H3;8-9,12,39H,5-7,10-11H2,1-4H3,(H,37,38);6-7,14-15,34H,5,8-12H2,1-4H3;9-10,12-13,30H,7-8,11H2,1-6H3;9-10,12,29,32H,7-8,11H2,1-6H3/t15-,16+;12-,25?;14-;;/m101../s1
InChIKeyMFMQTLNMMGENFU-JVHOVUCASA-N
XLogP27.75
TPSA699.43 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds49
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003146.84
LogP ≤ 527.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid (CID 159551920) is N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid is CCN(CC)C(=O)c1nc(-c2nnc(CC(C)(C)O)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CCN(CC)C(=O)c1nc(-c2nnc(CC(C)(C)OC=O)o2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C#N)o3)nc2C(=O)N2CCC(F)CC2)c(Cl)c1Cl.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2C(=O)N2CCCC[C@@H]2C)c(Cl)c1Cl.C[C@H]1CCCCN1C(=O)c1nc(-c2nnc(CC(C)(C)C(=O)O)o2)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl.
What is the InChIKey of N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid?
The InChIKey is MFMQTLNMMGENFU-JVHOVUCASA-N. The full InChI is InChI=1S/C27H33Cl2N5O6S2.C26H27Cl2F3N4O5S.C26H29Cl2FN6O4S2.C24H29Cl2N5O6S2.C23H29Cl2N5O5S2/c1-6-15(2)33-42(37,38)18-11-10-17(20(28)21(18)29)23-22(26(36)34-12-8-7-9-16(34)3)30-25(41-23)24-32-31-19(40-24)13-27(4,5)39-14-35;1-12-7-5-6-10-35(12)22(36)18-19(13-8-9-14(17(28)16(13)27)25(4,39)26(29,30)31)41-21(32-18)20-34-33-15(40-20)11-24(2,3)23(37)38;1-5-14(2)34-41(37,38)17-7-6-16(19(27)20(17)28)22-21(25(36)35-10-8-15(29)9-11-35)31-24(40-22)23-33-32-18(39-23)12-26(3,4)13-30;1-7-31(8-2)23(33)19-20(14-9-10-15(18(26)17(14)25)39(34,35)30-13(3)4)38-22(27-19)21-29-28-16(37-21)11-24(5,6)36-12-32;1-7-30(8-2)22(31)18-19(36-21(26-18)20-28-27-15(35-20)11-23(5,6)32)13-9-10-14(17(25)16(13)24)37(33,34)29-12(3)4/h10-11,14-16,33H,6-9,12-13H2,1-5H3;8-9,12,39H,5-7,10-11H2,1-4H3,(H,37,38);6-7,14-15,34H,5,8-12H2,1-4H3;9-10,12-13,30H,7-8,11H2,1-6H3;9-10,12,29,32H,7-8,11H2,1-6H3/t15-,16+;12-,25?;14-;;/m101../s1.
What are the key properties of N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid?
N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid has a molecular weight of 3146.84 g/mol, XLogP of 27.75, 49 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2,3-dichloro-4-[2-[5-(2-cyano-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide;[1-[5-[5-[4-[[(2R)-butan-2-yl]sulfamoyl]-2,3-dichlorophenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;[1-[5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl] formate;5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide;3-[5-[5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 159551920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).