1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide

C238H200F26N22O40S9 — CID 159856089

IUPAC1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1.N#Cc1ccc(-c2cc(CCC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)ccn2)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C27H22F4N2O5S.3C27H23F3N2O5S.C27H23F3N2O4S.C27H23N3O4S.2C26H22F3N3O4S.C24H19F4N3O4S/c28-19-5-8-25-17(13-19)14-26(38-25)39(36,37)33-11-1-2-22(33)23(34)7-3-16-9-10-32-21(12-16)20-6-4-18(15-24(20)35)27(29,30)31;28-27(29,30)37-21-10-8-19(9-11-21)22-16-18(13-14-31-22)7-12-24(33)23-5-3-15-32(23)38(34,35)26-17-20-4-1-2-6-25(20)36-26;28-27(29,30)37-22-10-7-18(8-11-22)19-13-14-31-21(16-19)9-12-24(33)23-5-3-15-32(23)38(34,35)26-17-20-4-1-2-6-25(20)36-26;28-27(29,30)19-8-9-20(24(34)16-19)21-14-17(11-12-31-21)7-10-23(33)22-5-3-13-32(22)38(35,36)26-15-18-4-1-2-6-25(18)37-26;28-27(29,30)21-11-12-22(31-17-21)19-7-3-5-18(15-19)10-13-24(33)23-8-4-14-32(23)37(34,35)26-16-20-6-1-2-9-25(20)36-26;28-18-20-7-10-21(11-8-20)23-16-19(13-14-29-23)9-12-25(31)24-5-3-15-30(24)35(32,33)27-17-22-4-1-2-6-26(22)34-27;27-26(28,29)24-10-8-19(16-31-24)20-14-17(11-12-30-20)7-9-22(33)21-5-3-13-32(21)37(34,35)25-15-18-4-1-2-6-23(18)36-25;27-26(28,29)19-9-7-17(8-10-19)21-15-20(30-16-31-21)11-12-23(33)22-5-3-13-32(22)37(34,35)25-14-18-4-1-2-6-24(18)36-25;1-14(31-36(33,34)23-11-16-10-18(25)6-9-22(16)35-23)21(32)8-7-19-12-20(30-13-29-19)15-2-4-17(5-3-15)24(26,27)28/h4-6,8-10,12-15,22,35H,1-3,7,11H2;1-2,4,6,8-11,13-14,16-17,23H,3,5,7,12,15H2;1-2,4,6-8,10-11,13-14,16-17,23H,3,5,9,12,15H2;1-2,4,6,8-9,11-12,14-16,22,34H,3,5,7,10,13H2;1-3,5-7,9,11-12,15-17,23H,4,8,10,13-14H2;1-2,4,6-8,10-11,13-14,16-17,24H,3,5,9,12,15H2;1-2,4,6,8,10-12,14-16,21H,3,5,7,9,13H2;1-2,4,6-10,14-16,22H,3,5,11-13H2;2-6,9-14,31H,7-8H2,1H3/t22-;2*23-;22-;23-;24-;21-;22-;14-/m000000000/s1
InChIKeyNQNXQLXAMAIVOD-YPUDAHGBSA-N
MW4790.88 g/mol
LogP48.82
Rot. Bonds66

About 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide

1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide (PubChem CID 159856089) has the molecular formula C238H200F26N22O40S9 and a molecular weight of 4790.88 g/mol. Its IUPAC name is 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
PubChem CID159856089
Molecular FormulaC238H200F26N22O40S9
Molecular Weight4790.88 g/mol
Exact Mass4787.14
IUPAC Name1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1.N#Cc1ccc(-c2cc(CCC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)ccn2)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C27H22F4N2O5S.3C27H23F3N2O5S.C27H23F3N2O4S.C27H23N3O4S.2C26H22F3N3O4S.C24H19F4N3O4S/c28-19-5-8-25-17(13-19)14-26(38-25)39(36,37)33-11-1-2-22(33)23(34)7-3-16-9-10-32-21(12-16)20-6-4-18(15-24(20)35)27(29,30)31;28-27(29,30)37-21-10-8-19(9-11-21)22-16-18(13-14-31-22)7-12-24(33)23-5-3-15-32(23)38(34,35)26-17-20-4-1-2-6-25(20)36-26;28-27(29,30)37-22-10-7-18(8-11-22)19-13-14-31-21(16-19)9-12-24(33)23-5-3-15-32(23)38(34,35)26-17-20-4-1-2-6-25(20)36-26;28-27(29,30)19-8-9-20(24(34)16-19)21-14-17(11-12-31-21)7-10-23(33)22-5-3-13-32(22)38(35,36)26-15-18-4-1-2-6-25(18)37-26;28-27(29,30)21-11-12-22(31-17-21)19-7-3-5-18(15-19)10-13-24(33)23-8-4-14-32(23)37(34,35)26-16-20-6-1-2-9-25(20)36-26;28-18-20-7-10-21(11-8-20)23-16-19(13-14-29-23)9-12-25(31)24-5-3-15-30(24)35(32,33)27-17-22-4-1-2-6-26(22)34-27;27-26(28,29)24-10-8-19(16-31-24)20-14-17(11-12-30-20)7-9-22(33)21-5-3-13-32(21)37(34,35)25-15-18-4-1-2-6-23(18)36-25;27-26(28,29)19-9-7-17(8-10-19)21-15-20(30-16-31-21)11-12-23(33)22-5-3-13-32(22)37(34,35)25-14-18-4-1-2-6-24(18)36-25;1-14(31-36(33,34)23-11-16-10-18(25)6-9-22(16)35-23)21(32)8-7-19-12-20(30-13-29-19)15-2-4-17(5-3-15)24(26,27)28/h4-6,8-10,12-15,22,35H,1-3,7,11H2;1-2,4,6,8-11,13-14,16-17,23H,3,5,7,12,15H2;1-2,4,6-8,10-11,13-14,16-17,23H,3,5,9,12,15H2;1-2,4,6,8-9,11-12,14-16,22,34H,3,5,7,10,13H2;1-3,5-7,9,11-12,15-17,23H,4,8,10,13-14H2;1-2,4,6-8,10-11,13-14,16-17,24H,3,5,9,12,15H2;1-2,4,6,8,10-12,14-16,21H,3,5,7,9,13H2;1-2,4,6-10,14-16,22H,3,5,11-13H2;2-6,9-14,31H,7-8H2,1H3/t22-;2*23-;22-;23-;24-;21-;22-;14-/m000000000/s1
InChIKeyNQNXQLXAMAIVOD-YPUDAHGBSA-N
XLogP48.82
TPSA854.49 Ų
H-Bond Donors3
H-Bond Acceptors53
Rotatable Bonds66
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004790.88
LogP ≤ 548.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1053

Analyze 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide with MolForge

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What is the IUPAC name of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
The IUPAC name of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide (CID 159856089) is 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide is C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1.N#Cc1ccc(-c2cc(CCC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)ccn2)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)cc2O)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(C(F)(F)F)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
The InChIKey is NQNXQLXAMAIVOD-YPUDAHGBSA-N. The full InChI is InChI=1S/C27H22F4N2O5S.3C27H23F3N2O5S.C27H23F3N2O4S.C27H23N3O4S.2C26H22F3N3O4S.C24H19F4N3O4S/c28-19-5-8-25-17(13-19)14-26(38-25)39(36,37)33-11-1-2-22(33)23(34)7-3-16-9-10-32-21(12-16)20-6-4-18(15-24(20)35)27(29,30)31;28-27(29,30)37-21-10-8-19(9-11-21)22-16-18(13-14-31-22)7-12-24(33)23-5-3-15-32(23)38(34,35)26-17-20-4-1-2-6-25(20)36-26;28-27(29,30)37-22-10-7-18(8-11-22)19-13-14-31-21(16-19)9-12-24(33)23-5-3-15-32(23)38(34,35)26-17-20-4-1-2-6-25(20)36-26;28-27(29,30)19-8-9-20(24(34)16-19)21-14-17(11-12-31-21)7-10-23(33)22-5-3-13-32(22)38(35,36)26-15-18-4-1-2-6-25(18)37-26;28-27(29,30)21-11-12-22(31-17-21)19-7-3-5-18(15-19)10-13-24(33)23-8-4-14-32(23)37(34,35)26-16-20-6-1-2-9-25(20)36-26;28-18-20-7-10-21(11-8-20)23-16-19(13-14-29-23)9-12-25(31)24-5-3-15-30(24)35(32,33)27-17-22-4-1-2-6-26(22)34-27;27-26(28,29)24-10-8-19(16-31-24)20-14-17(11-12-30-20)7-9-22(33)21-5-3-13-32(21)37(34,35)25-15-18-4-1-2-6-23(18)36-25;27-26(28,29)19-9-7-17(8-10-19)21-15-20(30-16-31-21)11-12-23(33)22-5-3-13-32(22)37(34,35)25-14-18-4-1-2-6-24(18)36-25;1-14(31-36(33,34)23-11-16-10-18(25)6-9-22(16)35-23)21(32)8-7-19-12-20(30-13-29-19)15-2-4-17(5-3-15)24(26,27)28/h4-6,8-10,12-15,22,35H,1-3,7,11H2;1-2,4,6,8-11,13-14,16-17,23H,3,5,7,12,15H2;1-2,4,6-8,10-11,13-14,16-17,23H,3,5,9,12,15H2;1-2,4,6,8-9,11-12,14-16,22,34H,3,5,7,10,13H2;1-3,5-7,9,11-12,15-17,23H,4,8,10,13-14H2;1-2,4,6-8,10-11,13-14,16-17,24H,3,5,9,12,15H2;1-2,4,6,8,10-12,14-16,21H,3,5,7,9,13H2;1-2,4,6-10,14-16,22H,3,5,11-13H2;2-6,9-14,31H,7-8H2,1H3/t22-;2*23-;22-;23-;24-;21-;22-;14-/m000000000/s1.
What are the key properties of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide has a molecular weight of 4790.88 g/mol, XLogP of 48.82, 66 rotatable bonds, 3 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;4-[4-[3-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]benzonitrile;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]propan-1-one;5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 159856089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).