N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

C125H135F40N15O20S5 — CID 167567867

IUPACN-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCOC1(O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.COC1(OC)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.COC1(OC)CCC1C(=O)O.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=C(NC1CCC(F)(F)CC1)C(c1cncc(F)c1)N(C(=O)C1CCC1(O)O)c1ccc(S(F)(F)(F)(F)F)cc1.O=C1CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C26H29F8N3O4S.C25H27F8N3O4S.C24H25F8N3O4S.C24H23F8N3O3S.C7H9F2N.C7H12O4.C6H6F5NS.C6H4FNO/c1-40-26(41-2)12-9-21(26)24(39)37(19-3-5-20(6-4-19)42(30,31,32,33)34)22(16-13-17(27)15-35-14-16)23(38)36-18-7-10-25(28,29)11-8-18;1-40-25(39)11-8-20(25)23(38)36(18-2-4-19(5-3-18)41(29,30,31,32)33)21(15-12-16(26)14-34-13-15)22(37)35-17-6-9-24(27,28)10-7-17;25-15-11-14(12-33-13-15)20(21(36)34-16-5-8-23(26,27)9-6-16)35(22(37)19-7-10-24(19,38)39)17-1-3-18(4-2-17)40(28,29,30,31)32;25-15-11-14(12-33-13-15)21(22(37)34-16-7-9-24(26,27)10-8-16)35(23(38)19-5-6-20(19)36)17-1-3-18(4-2-17)39(28,29,30,31)32;1-10-6-2-4-7(8,9)5-3-6;1-10-7(11-2)4-3-5(7)6(8)9;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h3-6,13-15,18,21-22H,7-12H2,1-2H3,(H,36,38);2-5,12-14,17,20-21,39H,6-11H2,1H3,(H,35,37);1-4,11-13,16,19-20,38-39H,5-10H2,(H,34,36);1-4,11-13,16,19,21H,5-10H2,(H,34,37);6H,2-5H2;5H,3-4H2,1-2H3,(H,8,9);1-4H,12H2;1-4H
InChIKeyFNBVSTWGZSXAIC-UHFFFAOYSA-N
MW3087.79 g/mol
LogP33.71
Rot. Bonds36

About N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 167567867) has the molecular formula C125H135F40N15O20S5 and a molecular weight of 3087.79 g/mol. Its IUPAC name is N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound NameN-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID167567867
Molecular FormulaC125H135F40N15O20S5
Molecular Weight3087.79 g/mol
Exact Mass3085.80
IUPAC NameN-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCOC1(O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.COC1(OC)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.COC1(OC)CCC1C(=O)O.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=C(NC1CCC(F)(F)CC1)C(c1cncc(F)c1)N(C(=O)C1CCC1(O)O)c1ccc(S(F)(F)(F)(F)F)cc1.O=C1CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C26H29F8N3O4S.C25H27F8N3O4S.C24H25F8N3O4S.C24H23F8N3O3S.C7H9F2N.C7H12O4.C6H6F5NS.C6H4FNO/c1-40-26(41-2)12-9-21(26)24(39)37(19-3-5-20(6-4-19)42(30,31,32,33)34)22(16-13-17(27)15-35-14-16)23(38)36-18-7-10-25(28,29)11-8-18;1-40-25(39)11-8-20(25)23(38)36(18-2-4-19(5-3-18)41(29,30,31,32)33)21(15-12-16(26)14-34-13-15)22(37)35-17-6-9-24(27,28)10-7-17;25-15-11-14(12-33-13-15)20(21(36)34-16-5-8-23(26,27)9-6-16)35(22(37)19-7-10-24(19,38)39)17-1-3-18(4-2-17)40(28,29,30,31)32;25-15-11-14(12-33-13-15)21(22(37)34-16-7-9-24(26,27)10-8-16)35(23(38)19-5-6-20(19)36)17-1-3-18(4-2-17)39(28,29,30,31)32;1-10-6-2-4-7(8,9)5-3-6;1-10-7(11-2)4-3-5(7)6(8)9;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h3-6,13-15,18,21-22H,7-12H2,1-2H3,(H,36,38);2-5,12-14,17,20-21,39H,6-11H2,1H3,(H,35,37);1-4,11-13,16,19-20,38-39H,5-10H2,(H,34,36);1-4,11-13,16,19,21H,5-10H2,(H,34,37);6H,2-5H2;5H,3-4H2,1-2H3,(H,8,9);1-4H,12H2;1-4H
InChIKeyFNBVSTWGZSXAIC-UHFFFAOYSA-N
XLogP33.71
TPSA470.75 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003087.79
LogP ≤ 533.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-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 N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (CID 167567867) is N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is COC1(O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.COC1(OC)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.COC1(OC)CCC1C(=O)O.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=C(NC1CCC(F)(F)CC1)C(c1cncc(F)c1)N(C(=O)C1CCC1(O)O)c1ccc(S(F)(F)(F)(F)F)cc1.O=C1CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1.
What is the InChIKey of N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is FNBVSTWGZSXAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F8N3O4S.C25H27F8N3O4S.C24H25F8N3O4S.C24H23F8N3O3S.C7H9F2N.C7H12O4.C6H6F5NS.C6H4FNO/c1-40-26(41-2)12-9-21(26)24(39)37(19-3-5-20(6-4-19)42(30,31,32,33)34)22(16-13-17(27)15-35-14-16)23(38)36-18-7-10-25(28,29)11-8-18;1-40-25(39)11-8-20(25)23(38)36(18-2-4-19(5-3-18)41(29,30,31,32)33)21(15-12-16(26)14-34-13-15)22(37)35-17-6-9-24(27,28)10-7-17;25-15-11-14(12-33-13-15)20(21(36)34-16-5-8-23(26,27)9-6-16)35(22(37)19-7-10-24(19,38)39)17-1-3-18(4-2-17)40(28,29,30,31)32;25-15-11-14(12-33-13-15)21(22(37)34-16-7-9-24(26,27)10-8-16)35(23(38)19-5-6-20(19)36)17-1-3-18(4-2-17)39(28,29,30,31)32;1-10-6-2-4-7(8,9)5-3-6;1-10-7(11-2)4-3-5(7)6(8)9;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h3-6,13-15,18,21-22H,7-12H2,1-2H3,(H,36,38);2-5,12-14,17,20-21,39H,6-11H2,1H3,(H,35,37);1-4,11-13,16,19-20,38-39H,5-10H2,(H,34,36);1-4,11-13,16,19,21H,5-10H2,(H,34,37);6H,2-5H2;5H,3-4H2,1-2H3,(H,8,9);1-4H,12H2;1-4H.
What are the key properties of N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 3087.79 g/mol, XLogP of 33.71, 36 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dihydroxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2,2-dimethoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-hydroxy-2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-2-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclobutane-1-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,2-dimethoxycyclobutane-1-carboxylic acid;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 167567867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).