(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide

C229H230ClF17N16O31S6 — CID 160803003

IUPAC(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCCc1cc(-c2ccccc2C(N)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ccc(C)cc2F)C1=O.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(C(F)(F)F)c(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4N)cc3)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3C(F)(F)F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3OC(F)F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)c(Cl)c3)C2=O)c(F)c1.Cc1cnc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3C)C2=O)c(F)c1.O=C(F)F
InChIInChI=1S/C30H31FN2O3.C29H28F4N2O4S.C29H29F3N2O4S.C29H30F2N2O5S.C28H27ClFNO4S.C28H29F2N3O4S.C28H29FN2O4S.C27H27FN2O2.CF2O/c1-3-20-16-21(25-8-4-5-9-26(25)29(32)35)12-13-28(20)33-14-6-7-23(30(33)36)18-24(34)17-22-11-10-19(2)15-27(22)31;1-18-9-11-19(12-10-18)14-21(36)15-20-6-5-13-35(28(20)37)27-17-24(29(31,32)33)23(16-25(27)30)22-7-3-4-8-26(22)34-40(2,38)39;1-19-9-11-20(12-10-19)16-23(35)17-22-6-5-15-34(28(22)36)27-14-13-21(18-25(27)29(30,31)32)24-7-3-4-8-26(24)33-39(2,37)38;1-19-9-11-20(12-10-19)16-23(34)17-22-6-5-15-33(28(22)35)26-14-13-21(18-27(26)38-29(30)31)24-7-3-4-8-25(24)32-39(2,36)37;1-18-9-10-19(26(30)14-18)15-22(32)16-20-6-5-13-31(28(20)33)21-11-12-23(25(29)17-21)24-7-3-4-8-27(24)36(2,34)35;1-17-11-24(30)26(31-16-17)14-20(34)13-19-7-6-10-33(28(19)35)27-15-23(29)22(12-18(27)2)21-8-4-5-9-25(21)32-38(3,36)37;1-19-9-10-21(26(29)16-19)17-24(32)18-22-6-5-15-31(28(22)33)23-13-11-20(12-14-23)25-7-3-4-8-27(25)30-36(2,34)35;1-18-8-9-20(25(28)15-18)16-23(31)17-21-5-4-14-30(27(21)32)22-12-10-19(11-13-22)24-6-2-3-7-26(24)29;2-1(3)4/h4-5,8-13,15-16,23H,3,6-7,14,17-18H2,1-2H3,(H2,32,35);3-4,7-12,16-17,20,34H,5-6,13-15H2,1-2H3;3-4,7-14,18,22,33H,5-6,15-17H2,1-2H3;3-4,7-14,18,22,29,32H,5-6,15-17H2,1-2H3;3-4,7-12,14,17,20H,5-6,13,15-16H2,1-2H3;4-5,8-9,11-12,15-16,19,32H,6-7,10,13-14H2,1-3H3;3-4,7-14,16,22,30H,5-6,15,17-18H2,1-2H3;2-3,6-13,15,21H,4-5,14,16-17,29H2,1H3;/t23-;20-;2*22-;20-;19-;22-;21-;/m00000000./s1
InChIKeySDIFOFSMGTZFSR-JZVPWJMMSA-N
MW4253.26 g/mol
LogP45.37
Rot. Bonds63

About (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide

(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (PubChem CID 160803003) has the molecular formula C229H230ClF17N16O31S6 and a molecular weight of 4253.26 g/mol. Its IUPAC name is (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
PubChem CID160803003
Molecular FormulaC229H230ClF17N16O31S6
Molecular Weight4253.26 g/mol
Exact Mass4249.47
IUPAC Name(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCCc1cc(-c2ccccc2C(N)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ccc(C)cc2F)C1=O.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(C(F)(F)F)c(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4N)cc3)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3C(F)(F)F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3OC(F)F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)c(Cl)c3)C2=O)c(F)c1.Cc1cnc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3C)C2=O)c(F)c1.O=C(F)F
InChIInChI=1S/C30H31FN2O3.C29H28F4N2O4S.C29H29F3N2O4S.C29H30F2N2O5S.C28H27ClFNO4S.C28H29F2N3O4S.C28H29FN2O4S.C27H27FN2O2.CF2O/c1-3-20-16-21(25-8-4-5-9-26(25)29(32)35)12-13-28(20)33-14-6-7-23(30(33)36)18-24(34)17-22-11-10-19(2)15-27(22)31;1-18-9-11-19(12-10-18)14-21(36)15-20-6-5-13-35(28(20)37)27-17-24(29(31,32)33)23(16-25(27)30)22-7-3-4-8-26(22)34-40(2,38)39;1-19-9-11-20(12-10-19)16-23(35)17-22-6-5-15-34(28(22)36)27-14-13-21(18-25(27)29(30,31)32)24-7-3-4-8-26(24)33-39(2,37)38;1-19-9-11-20(12-10-19)16-23(34)17-22-6-5-15-33(28(22)35)26-14-13-21(18-27(26)38-29(30)31)24-7-3-4-8-25(24)32-39(2,36)37;1-18-9-10-19(26(30)14-18)15-22(32)16-20-6-5-13-31(28(20)33)21-11-12-23(25(29)17-21)24-7-3-4-8-27(24)36(2,34)35;1-17-11-24(30)26(31-16-17)14-20(34)13-19-7-6-10-33(28(19)35)27-15-23(29)22(12-18(27)2)21-8-4-5-9-25(21)32-38(3,36)37;1-19-9-10-21(26(29)16-19)17-24(32)18-22-6-5-15-31(28(22)33)23-13-11-20(12-14-23)25-7-3-4-8-27(25)30-36(2,34)35;1-18-8-9-20(25(28)15-18)16-23(31)17-21-5-4-14-30(27(21)32)22-12-10-19(11-13-22)24-6-2-3-7-26(24)29;2-1(3)4/h4-5,8-13,15-16,23H,3,6-7,14,17-18H2,1-2H3,(H2,32,35);3-4,7-12,16-17,20,34H,5-6,13-15H2,1-2H3;3-4,7-14,18,22,33H,5-6,15-17H2,1-2H3;3-4,7-14,18,22,29,32H,5-6,15-17H2,1-2H3;3-4,7-12,14,17,20H,5-6,13,15-16H2,1-2H3;4-5,8-9,11-12,15-16,19,32H,6-7,10,13-14H2,1-3H3;3-4,7-14,16,22,30H,5-6,15,17-18H2,1-2H3;2-3,6-13,15,21H,4-5,14,16-17,29H2,1H3;/t23-;20-;2*22-;20-;19-;22-;21-;/m00000000./s1
InChIKeySDIFOFSMGTZFSR-JZVPWJMMSA-N
XLogP45.37
TPSA672.33 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds63
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004253.26
LogP ≤ 545.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The IUPAC name of (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (CID 160803003) is (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is CCc1cc(-c2ccccc2C(N)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ccc(C)cc2F)C1=O.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(C(F)(F)F)c(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4N)cc3)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3C(F)(F)F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3OC(F)F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)c(Cl)c3)C2=O)c(F)c1.Cc1cnc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3C)C2=O)c(F)c1.O=C(F)F.
What is the InChIKey of (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The InChIKey is SDIFOFSMGTZFSR-JZVPWJMMSA-N. The full InChI is InChI=1S/C30H31FN2O3.C29H28F4N2O4S.C29H29F3N2O4S.C29H30F2N2O5S.C28H27ClFNO4S.C28H29F2N3O4S.C28H29FN2O4S.C27H27FN2O2.CF2O/c1-3-20-16-21(25-8-4-5-9-26(25)29(32)35)12-13-28(20)33-14-6-7-23(30(33)36)18-24(34)17-22-11-10-19(2)15-27(22)31;1-18-9-11-19(12-10-18)14-21(36)15-20-6-5-13-35(28(20)37)27-17-24(29(31,32)33)23(16-25(27)30)22-7-3-4-8-26(22)34-40(2,38)39;1-19-9-11-20(12-10-19)16-23(35)17-22-6-5-15-34(28(22)36)27-14-13-21(18-25(27)29(30,31)32)24-7-3-4-8-26(24)33-39(2,37)38;1-19-9-11-20(12-10-19)16-23(34)17-22-6-5-15-33(28(22)35)26-14-13-21(18-27(26)38-29(30)31)24-7-3-4-8-25(24)32-39(2,36)37;1-18-9-10-19(26(30)14-18)15-22(32)16-20-6-5-13-31(28(20)33)21-11-12-23(25(29)17-21)24-7-3-4-8-27(24)36(2,34)35;1-17-11-24(30)26(31-16-17)14-20(34)13-19-7-6-10-33(28(19)35)27-15-23(29)22(12-18(27)2)21-8-4-5-9-25(21)32-38(3,36)37;1-19-9-10-21(26(29)16-19)17-24(32)18-22-6-5-15-31(28(22)33)23-13-11-20(12-14-23)25-7-3-4-8-27(25)30-36(2,34)35;1-18-8-9-20(25(28)15-18)16-23(31)17-21-5-4-14-30(27(21)32)22-12-10-19(11-13-22)24-6-2-3-7-26(24)29;2-1(3)4/h4-5,8-13,15-16,23H,3,6-7,14,17-18H2,1-2H3,(H2,32,35);3-4,7-12,16-17,20,34H,5-6,13-15H2,1-2H3;3-4,7-14,18,22,33H,5-6,15-17H2,1-2H3;3-4,7-14,18,22,29,32H,5-6,15-17H2,1-2H3;3-4,7-12,14,17,20H,5-6,13,15-16H2,1-2H3;4-5,8-9,11-12,15-16,19,32H,6-7,10,13-14H2,1-3H3;3-4,7-14,16,22,30H,5-6,15,17-18H2,1-2H3;2-3,6-13,15,21H,4-5,14,16-17,29H2,1H3;/t23-;20-;2*22-;20-;19-;22-;21-;/m00000000./s1.
What are the key properties of (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide has a molecular weight of 4253.26 g/mol, XLogP of 45.37, 63 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;carbonyl difluoride;(3S)-1-[3-chloro-4-(2-methylsulfonylphenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[3-(difluoromethoxy)-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]benzamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[5-fluoro-4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-2-(trifluoromethyl)phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-3-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 160803003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).