tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

C115H137F32N17O17S4 — CID 167572982

IUPACtert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OC[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)N1CC(C)(C)OC[C@@H]1C(=O)O.CC1(C)CN(C#N)[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)CO1.CC1(C)CN[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)CO1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C31H38F8N4O5S.C27H29F8N5O3S.C26H30F8N4O3S.C12H21NO5.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)48-28(46)42-18-30(4,5)47-17-24(42)27(45)43(22-6-8-23(9-7-22)49(35,36,37,38)39)25(19-14-20(32)16-40-15-19)26(44)41-21-10-12-31(33,34)13-11-21;1-26(2)15-39(16-36)22(14-43-26)25(42)40(20-3-5-21(6-4-20)44(31,32,33,34)35)23(17-11-18(28)13-37-12-17)24(41)38-19-7-9-27(29,30)10-8-19;1-25(2)15-36-21(14-41-25)24(40)38(19-3-5-20(6-4-19)42(30,31,32,33)34)22(16-11-17(27)13-35-12-16)23(39)37-18-7-9-26(28,29)10-8-18;1-11(2,3)18-10(16)13-7-12(4,5)17-6-8(13)9(14)15;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/h6-9,14-16,21,24-25H,10-13,17-18H2,1-5H3,(H,41,44);3-6,11-13,19,22-23H,7-10,14-15H2,1-2H3,(H,38,41);3-6,11-13,18,21-22,36H,7-10,14-15H2,1-2H3,(H,37,39);8H,6-7H2,1-5H3,(H,14,15);6H,2-5H2;1-4H,12H2;1-4H/t24-,25?;22-,23?;21-,22?;8-;;;/m1111.../s1
InChIKeyGDRSEKGBMFWYGR-YIPHRMDGSA-N
MW2765.67 g/mol
LogP30.01
Rot. Bonds24

About tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 167572982) has the molecular formula C115H137F32N17O17S4 and a molecular weight of 2765.67 g/mol. Its IUPAC name is tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound Nametert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID167572982
Molecular FormulaC115H137F32N17O17S4
Molecular Weight2765.67 g/mol
Exact Mass2763.88
IUPAC Nametert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OC[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)N1CC(C)(C)OC[C@@H]1C(=O)O.CC1(C)CN(C#N)[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)CO1.CC1(C)CN[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)CO1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C31H38F8N4O5S.C27H29F8N5O3S.C26H30F8N4O3S.C12H21NO5.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)48-28(46)42-18-30(4,5)47-17-24(42)27(45)43(22-6-8-23(9-7-22)49(35,36,37,38)39)25(19-14-20(32)16-40-15-19)26(44)41-21-10-12-31(33,34)13-11-21;1-26(2)15-39(16-36)22(14-43-26)25(42)40(20-3-5-21(6-4-20)44(31,32,33,34)35)23(17-11-18(28)13-37-12-17)24(41)38-19-7-9-27(29,30)10-8-19;1-25(2)15-36-21(14-41-25)24(40)38(19-3-5-20(6-4-19)42(30,31,32,33)34)22(16-11-17(27)13-35-12-16)23(39)37-18-7-9-26(28,29)10-8-18;1-11(2,3)18-10(16)13-7-12(4,5)17-6-8(13)9(14)15;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/h6-9,14-16,21,24-25H,10-13,17-18H2,1-5H3,(H,41,44);3-6,11-13,19,22-23H,7-10,14-15H2,1-2H3,(H,38,41);3-6,11-13,18,21-22,36H,7-10,14-15H2,1-2H3,(H,37,39);8H,6-7H2,1-5H3,(H,14,15);6H,2-5H2;1-4H,12H2;1-4H/t24-,25?;22-,23?;21-,22?;8-;;;/m1111.../s1
InChIKeyGDRSEKGBMFWYGR-YIPHRMDGSA-N
XLogP30.01
TPSA419.60 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002765.67
LogP ≤ 530.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'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 (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;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 (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (CID 167572982) is tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is CC(C)(C)OC(=O)N1CC(C)(C)OC[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)N1CC(C)(C)OC[C@@H]1C(=O)O.CC1(C)CN(C#N)[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)CO1.CC1(C)CN[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)CO1.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 (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is GDRSEKGBMFWYGR-YIPHRMDGSA-N. The full InChI is InChI=1S/C31H38F8N4O5S.C27H29F8N5O3S.C26H30F8N4O3S.C12H21NO5.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)48-28(46)42-18-30(4,5)47-17-24(42)27(45)43(22-6-8-23(9-7-22)49(35,36,37,38)39)25(19-14-20(32)16-40-15-19)26(44)41-21-10-12-31(33,34)13-11-21;1-26(2)15-39(16-36)22(14-43-26)25(42)40(20-3-5-21(6-4-20)44(31,32,33,34)35)23(17-11-18(28)13-37-12-17)24(41)38-19-7-9-27(29,30)10-8-19;1-25(2)15-36-21(14-41-25)24(40)38(19-3-5-20(6-4-19)42(30,31,32,33)34)22(16-11-17(27)13-35-12-16)23(39)37-18-7-9-26(28,29)10-8-18;1-11(2,3)18-10(16)13-7-12(4,5)17-6-8(13)9(14)15;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/h6-9,14-16,21,24-25H,10-13,17-18H2,1-5H3,(H,41,44);3-6,11-13,19,22-23H,7-10,14-15H2,1-2H3,(H,38,41);3-6,11-13,18,21-22,36H,7-10,14-15H2,1-2H3,(H,37,39);8H,6-7H2,1-5H3,(H,14,15);6H,2-5H2;1-4H,12H2;1-4H/t24-,25?;22-,23?;21-,22?;8-;;;/m1111.../s1.
What are the key properties of tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 2765.67 g/mol, XLogP of 30.01, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-5-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-2,2-dimethylmorpholine-4-carboxylate;(3R)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;(3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-6,6-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholine-3-carboxamide;1,1-difluoro-4-isocyanocyclohexane;(3R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 167572982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).