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

C203H171F29N30O34S8 — CID 158375074

IUPAC1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
SMILESCN(C)c1nc(CCC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(-c2ccc(C(F)(F)F)cc2)n1.CN(C)c1nc(CCC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(-c2ccc(C(F)(F)F)cc2)n1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)cc2O)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2cnc(C(F)(F)F)nc2)ncn1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C28H26F4N4O4S.C28H27F3N4O4S.C26H22F3N3O5S.C25H20F4N4O4S.C25H19F4N3O4S.C25H21F3N4O4S.C24H19F4N3O5S.C22H17F4N5O4S/c1-35(2)27-33-21(16-22(34-27)17-5-7-19(8-6-17)28(30,31)32)10-11-24(37)23-4-3-13-36(23)41(38,39)26-15-18-14-20(29)9-12-25(18)40-26;1-34(2)27-32-21(17-22(33-27)18-9-11-20(12-10-18)28(29,30)31)13-14-24(36)23-7-5-15-35(23)40(37,38)26-16-19-6-3-4-8-25(19)39-26;27-26(28,29)37-20-10-7-17(8-11-20)21-15-19(30-16-31-21)9-12-23(33)22-5-3-13-32(22)38(34,35)25-14-18-4-1-2-6-24(18)36-25;26-17-4-7-22-16(10-17)11-24(37-22)38(35,36)33-9-1-2-20(33)21(34)6-5-18-12-19(32-14-31-18)15-3-8-23(30-13-15)25(27,28)29;26-18-2-6-23-16(11-18)13-24(36-23)37(34,35)32-10-8-21(32)22(33)5-3-19-12-15(7-9-30-19)20-4-1-17(14-31-20)25(27,28)29;26-25(27,28)17-7-9-19(29-14-17)20-13-18(30-15-31-20)8-10-22(33)21-5-3-11-32(21)37(34,35)24-12-16-4-1-2-6-23(16)36-24;1-13(31-37(34,35)23-9-14-8-16(25)3-7-22(14)36-23)20(32)6-4-17-11-19(30-12-29-17)18-5-2-15(10-21(18)33)24(26,27)28;1-12(31-36(33,34)20-7-13-6-15(23)2-5-19(13)35-20)18(32)4-3-16-8-17(30-11-29-16)14-9-27-21(28-10-14)22(24,25)26/h5-9,12,14-16,23H,3-4,10-11,13H2,1-2H3;3-4,6,8-12,16-17,23H,5,7,13-15H2,1-2H3;1-2,4,6-8,10-11,14-16,22H,3,5,9,12-13H2;3-4,7-8,10-14,20H,1-2,5-6,9H2;1-2,4,6-7,9,11-14,21H,3,5,8,10H2;1-2,4,6-7,9,12-15,21H,3,5,8,10-11H2;2-3,5,7-13,31,33H,4,6H2,1H3;2,5-12,31H,3-4H2,1H3/t2*23-;22-;20-;2*21-;13-;12-/m00000000/s1
InChIKeyGVBWXMZWKWZISS-BQNGXMDPSA-N
MW4382.25 g/mol
LogP38.74
Rot. Bonds61

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

1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide (PubChem CID 158375074) has the molecular formula C203H171F29N30O34S8 and a molecular weight of 4382.25 g/mol. Its IUPAC name is 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]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-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
PubChem CID158375074
Molecular FormulaC203H171F29N30O34S8
Molecular Weight4382.25 g/mol
Exact Mass4378.99
IUPAC Name1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
SMILESCN(C)c1nc(CCC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(-c2ccc(C(F)(F)F)cc2)n1.CN(C)c1nc(CCC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(-c2ccc(C(F)(F)F)cc2)n1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)cc2O)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2cnc(C(F)(F)F)nc2)ncn1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C28H26F4N4O4S.C28H27F3N4O4S.C26H22F3N3O5S.C25H20F4N4O4S.C25H19F4N3O4S.C25H21F3N4O4S.C24H19F4N3O5S.C22H17F4N5O4S/c1-35(2)27-33-21(16-22(34-27)17-5-7-19(8-6-17)28(30,31)32)10-11-24(37)23-4-3-13-36(23)41(38,39)26-15-18-14-20(29)9-12-25(18)40-26;1-34(2)27-32-21(17-22(33-27)18-9-11-20(12-10-18)28(29,30)31)13-14-24(36)23-7-5-15-35(23)40(37,38)26-16-19-6-3-4-8-25(19)39-26;27-26(28,29)37-20-10-7-17(8-11-20)21-15-19(30-16-31-21)9-12-23(33)22-5-3-13-32(22)38(34,35)25-14-18-4-1-2-6-24(18)36-25;26-17-4-7-22-16(10-17)11-24(37-22)38(35,36)33-9-1-2-20(33)21(34)6-5-18-12-19(32-14-31-18)15-3-8-23(30-13-15)25(27,28)29;26-18-2-6-23-16(11-18)13-24(36-23)37(34,35)32-10-8-21(32)22(33)5-3-19-12-15(7-9-30-19)20-4-1-17(14-31-20)25(27,28)29;26-25(27,28)17-7-9-19(29-14-17)20-13-18(30-15-31-20)8-10-22(33)21-5-3-11-32(21)37(34,35)24-12-16-4-1-2-6-23(16)36-24;1-13(31-37(34,35)23-9-14-8-16(25)3-7-22(14)36-23)20(32)6-4-17-11-19(30-12-29-17)18-5-2-15(10-21(18)33)24(26,27)28;1-12(31-36(33,34)20-7-13-6-15(23)2-5-19(13)35-20)18(32)4-3-16-8-17(30-11-29-16)14-9-27-21(28-10-14)22(24,25)26/h5-9,12,14-16,23H,3-4,10-11,13H2,1-2H3;3-4,6,8-12,16-17,23H,5,7,13-15H2,1-2H3;1-2,4,6-8,10-11,14-16,22H,3,5,9,12-13H2;3-4,7-8,10-14,20H,1-2,5-6,9H2;1-2,4,6-7,9,11-14,21H,3,5,8,10H2;1-2,4,6-7,9,12-15,21H,3,5,8,10-11H2;2-3,5,7-13,31,33H,4,6H2,1H3;2,5-12,31H,3-4H2,1H3/t2*23-;22-;20-;2*21-;13-;12-/m00000000/s1
InChIKeyGVBWXMZWKWZISS-BQNGXMDPSA-N
XLogP38.74
TPSA852.04 Ų
H-Bond Donors3
H-Bond Acceptors56
Rotatable Bonds61
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004382.25
LogP ≤ 538.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1056

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

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Launch Full Analysis

Related Compounds

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
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one
CID 147726043
5-fluoro-N-[(2S)-3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
CID 158438204
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)azetidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one
CID 147006050
5-fluoro-N-[3-oxo-5-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
CID 158438205
5-fluoro-N-[(2S)-3-oxo-5-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide
CID 148717404
1-[(2S)-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one
CID 161463414
5-fluoro-N-[(2S)-3-oxo-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]pentan-2-yl]-1-benzofuran-2-sulfonamide
CID 161207495
1-[1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]propan-1-one
CID 157157094
(2S)-1-(1-benzofuran-2-ylsulfonyl)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 122685704
5-fluoro-N-[(3S)-4-oxo-6-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]hexan-3-yl]-1-benzofuran-2-sulfonamide
CID 153200881
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 122685874

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]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-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide (CID 158375074) is 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]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-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]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-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide is CN(C)c1nc(CCC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(-c2ccc(C(F)(F)F)cc2)n1.CN(C)c1nc(CCC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(-c2ccc(C(F)(F)F)cc2)n1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2ccc(C(F)(F)F)cc2O)ncn1.C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)CCc1cc(-c2cnc(C(F)(F)F)nc2)ncn1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
The InChIKey is GVBWXMZWKWZISS-BQNGXMDPSA-N. The full InChI is InChI=1S/C28H26F4N4O4S.C28H27F3N4O4S.C26H22F3N3O5S.C25H20F4N4O4S.C25H19F4N3O4S.C25H21F3N4O4S.C24H19F4N3O5S.C22H17F4N5O4S/c1-35(2)27-33-21(16-22(34-27)17-5-7-19(8-6-17)28(30,31)32)10-11-24(37)23-4-3-13-36(23)41(38,39)26-15-18-14-20(29)9-12-25(18)40-26;1-34(2)27-32-21(17-22(33-27)18-9-11-20(12-10-18)28(29,30)31)13-14-24(36)23-7-5-15-35(23)40(37,38)26-16-19-6-3-4-8-25(19)39-26;27-26(28,29)37-20-10-7-17(8-11-20)21-15-19(30-16-31-21)9-12-23(33)22-5-3-13-32(22)38(34,35)25-14-18-4-1-2-6-24(18)36-25;26-17-4-7-22-16(10-17)11-24(37-22)38(35,36)33-9-1-2-20(33)21(34)6-5-18-12-19(32-14-31-18)15-3-8-23(30-13-15)25(27,28)29;26-18-2-6-23-16(11-18)13-24(36-23)37(34,35)32-10-8-21(32)22(33)5-3-19-12-15(7-9-30-19)20-4-1-17(14-31-20)25(27,28)29;26-25(27,28)17-7-9-19(29-14-17)20-13-18(30-15-31-20)8-10-22(33)21-5-3-11-32(21)37(34,35)24-12-16-4-1-2-6-23(16)36-24;1-13(31-37(34,35)23-9-14-8-16(25)3-7-22(14)36-23)20(32)6-4-17-11-19(30-12-29-17)18-5-2-15(10-21(18)33)24(26,27)28;1-12(31-36(33,34)20-7-13-6-15(23)2-5-19(13)35-20)18(32)4-3-16-8-17(30-11-29-16)14-9-27-21(28-10-14)22(24,25)26/h5-9,12,14-16,23H,3-4,10-11,13H2,1-2H3;3-4,6,8-12,16-17,23H,5,7,13-15H2,1-2H3;1-2,4,6-8,10-11,14-16,22H,3,5,9,12-13H2;3-4,7-8,10-14,20H,1-2,5-6,9H2;1-2,4,6-7,9,11-14,21H,3,5,8,10H2;1-2,4,6-7,9,12-15,21H,3,5,8,10-11H2;2-3,5,7-13,31,33H,4,6H2,1H3;2,5-12,31H,3-4H2,1H3/t2*23-;22-;20-;2*21-;13-;12-/m00000000/s1.
What are the key properties of 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide?
1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide has a molecular weight of 4382.25 g/mol, XLogP of 38.74, 61 rotatable bonds, 3 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidin-2-yl]-3-[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]propan-1-one;3-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]azetidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;5-fluoro-N-[(2S)-5-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxopentan-2-yl]-1-benzofuran-2-sulfonamide;5-fluoro-N-[(2S)-3-oxo-5-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]pentan-2-yl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 158375074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).