About [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane
[(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane (PubChem CID 157204317) has the molecular formula C157H171Cl6F4N15O35S8
and a molecular weight of 3373.41 g/mol. Its IUPAC name is [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane.
Frequently Asked Questions
What is the IUPAC name of [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane?
The IUPAC name of [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane (CID 157204317) is [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane.
What is the SMILES notation for [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane?
The canonical SMILES for [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane is C.C.C.C.C.C.CCS(=O)(=O)C[C@@H](COc1ccc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)cc1OC)OC(=O)CN.CCS(=O)(=O)C[C@H](COc1ccc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)cc1OC)OC(=O)CN.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC1(OC(=O)CN)CC(F)(F)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC(C)(C)OC(=O)CN.COc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC(C)(O)COC(=O)CN.COc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC1(OC(=O)CN)CC(F)(F)C1.
What is the InChIKey of [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane?
The InChIKey is AREAYEFBAONDCF-MTNJUUGLSA-N. The full InChI is InChI=1S/C26H23ClF2N2O5S.2C26H27ClN2O7S2.C25H22ClF2N3O5S.C24H24ClN3O6S.C24H24ClN3O5S.6CH4/c1-34-20-9-18(6-7-19(20)35-14-25(36-22(32)10-30)12-26(28,29)13-25)31-11-16-8-21(37-23(16)24(31)33)15-2-4-17(27)5-3-15;2*1-3-38(32,33)15-20(36-24(30)12-28)14-35-21-9-8-19(11-22(21)34-2)29-13-17-10-23(37-25(17)26(29)31)16-4-6-18(27)7-5-16;1-34-19-7-16(3-5-18(19)35-13-24(36-21(32)8-29)11-25(27,28)12-24)31-10-14-6-20(37-22(14)23(31)33)17-4-2-15(26)9-30-17;1-24(31,13-34-21(29)9-26)12-33-18-6-4-16(8-19(18)32-2)28-11-14-7-20(35-22(14)23(28)30)17-5-3-15(25)10-27-17;1-24(2,33-21(29)10-26)13-32-18-7-5-16(9-19(18)31-3)28-12-14-8-20(34-22(14)23(28)30)17-6-4-15(25)11-27-17;;;;;;/h2-9H,10-14,30H2,1H3;2*4-11,20H,3,12-15,28H2,1-2H3;2-7,9H,8,10-13,29H2,1H3;3-8,10,31H,9,11-13,26H2,1-2H3;4-9,11H,10,12-13,26H2,1-3H3;6*1H4/t;2*20-;;;;;;;;;/m.10........./s1.
What are the key properties of [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane?
[(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane has a molecular weight of 3373.41 g/mol, XLogP of 29.18, 55 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[(2R)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] 2-aminoacetate;[1-[[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[3-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropyl] 2-aminoacetate;[1-[[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-aminoacetate;[1-[4-[2-(5-chloro-2-pyridinyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate;methane is sourced from PubChem (CID 157204317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).