tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

C115H137F32N17O13S4 — CID 167583342

IUPACtert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1OC=O.CC1(C)CCN(C#N)[C@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC1(C)CCN[C@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C31H38F8N4O4S.C27H29F8N5O2S.C26H30F8N4O2S.C12H21NO4.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)47-28(46)42-15-14-30(4,5)25(42)27(45)43(22-6-8-23(9-7-22)48(35,36,37,38)39)24(19-16-20(32)18-40-17-19)26(44)41-21-10-12-31(33,34)13-11-21;1-26(2)11-12-39(16-36)23(26)25(42)40(20-3-5-21(6-4-20)43(31,32,33,34)35)22(17-13-18(28)15-37-14-17)24(41)38-19-7-9-27(29,30)10-8-19;1-25(2)11-12-36-22(25)24(40)38(19-3-5-20(6-4-19)41(30,31,32,33)34)21(16-13-17(27)15-35-14-16)23(39)37-18-7-9-26(28,29)10-8-18;1-11(2,3)17-10(15)13-7-6-12(4,5)9(13)16-8-14;1-10-6-2-4-7(8,9)5-3-6;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h6-9,16-18,21,24-25H,10-15H2,1-5H3,(H,41,44);3-6,13-15,19,22-23H,7-12H2,1-2H3,(H,38,41);3-6,13-15,18,21-22,36H,7-12H2,1-2H3,(H,37,39);8-9H,6-7H2,1-5H3;6H,2-5H2;1-4H,12H2;1-4H/t24?,25-;22?,23-;21?,22-;9-;;;/m0000.../s1
InChIKeyHLZNOJJTFYAPLV-JILSYMONSA-N
MW2701.67 g/mol
LogP32.54
Rot. Bonds25

About tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 167583342) has the molecular formula C115H137F32N17O13S4 and a molecular weight of 2701.67 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID167583342
Molecular FormulaC115H137F32N17O13S4
Molecular Weight2701.67 g/mol
Exact Mass2699.90
IUPAC Nametert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1OC=O.CC1(C)CCN(C#N)[C@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC1(C)CCN[C@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C31H38F8N4O4S.C27H29F8N5O2S.C26H30F8N4O2S.C12H21NO4.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)47-28(46)42-15-14-30(4,5)25(42)27(45)43(22-6-8-23(9-7-22)48(35,36,37,38)39)24(19-16-20(32)18-40-17-19)26(44)41-21-10-12-31(33,34)13-11-21;1-26(2)11-12-39(16-36)23(26)25(42)40(20-3-5-21(6-4-20)43(31,32,33,34)35)22(17-13-18(28)15-37-14-17)24(41)38-19-7-9-27(29,30)10-8-19;1-25(2)11-12-36-22(25)24(40)38(19-3-5-20(6-4-19)41(30,31,32,33)34)21(16-13-17(27)15-35-14-16)23(39)37-18-7-9-26(28,29)10-8-18;1-11(2,3)17-10(15)13-7-6-12(4,5)9(13)16-8-14;1-10-6-2-4-7(8,9)5-3-6;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h6-9,16-18,21,24-25H,10-15H2,1-5H3,(H,41,44);3-6,13-15,19,22-23H,7-12H2,1-2H3,(H,38,41);3-6,13-15,18,21-22,36H,7-12H2,1-2H3,(H,37,39);8-9H,6-7H2,1-5H3;6H,2-5H2;1-4H,12H2;1-4H/t24?,25-;22?,23-;21?,22-;9-;;;/m0000.../s1
InChIKeyHLZNOJJTFYAPLV-JILSYMONSA-N
XLogP32.54
TPSA371.68 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002701.67
LogP ≤ 532.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (CID 167583342) is tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1OC=O.CC1(C)CCN(C#N)[C@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC1(C)CCN[C@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is HLZNOJJTFYAPLV-JILSYMONSA-N. The full InChI is InChI=1S/C31H38F8N4O4S.C27H29F8N5O2S.C26H30F8N4O2S.C12H21NO4.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)47-28(46)42-15-14-30(4,5)25(42)27(45)43(22-6-8-23(9-7-22)48(35,36,37,38)39)24(19-16-20(32)18-40-17-19)26(44)41-21-10-12-31(33,34)13-11-21;1-26(2)11-12-39(16-36)23(26)25(42)40(20-3-5-21(6-4-20)43(31,32,33,34)35)22(17-13-18(28)15-37-14-17)24(41)38-19-7-9-27(29,30)10-8-19;1-25(2)11-12-36-22(25)24(40)38(19-3-5-20(6-4-19)41(30,31,32,33)34)21(16-13-17(27)15-35-14-16)23(39)37-18-7-9-26(28,29)10-8-18;1-11(2,3)17-10(15)13-7-6-12(4,5)9(13)16-8-14;1-10-6-2-4-7(8,9)5-3-6;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h6-9,16-18,21,24-25H,10-15H2,1-5H3,(H,41,44);3-6,13-15,19,22-23H,7-12H2,1-2H3,(H,38,41);3-6,13-15,18,21-22,36H,7-12H2,1-2H3,(H,37,39);8-9H,6-7H2,1-5H3;6H,2-5H2;1-4H,12H2;1-4H/t24?,25-;22?,23-;21?,22-;9-;;;/m0000.../s1.
What are the key properties of tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 2701.67 g/mol, XLogP of 32.54, 25 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-3,3-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-formyloxy-3,3-dimethylpyrrolidine-1-carboxylate;(2R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3,3-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 167583342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).