[(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate

C263H251N15O40S7 — CID 172974377

IUPAC[(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
SMILESCC(=O)O/N=C(/C)C(=O)c1ccc(Sc2ccc(OCCO)cc2)cc1.CC(=O)O/N=C(/CC1CCCCC1)C(=O)c1ccc(Sc2ccccc2)cc1.CC(=O)O/N=C(/CCC(C)C)c1ccc(Sc2ccc(C(=O)c3cc4ccccc4o3)cc2)cc1.CC(=O)O/N=C(\C(=O)c1ccc(Sc2ccccc2)cc1)c1ccccc1C.CC(=O)O/N=C(\CC1CCCC1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCCCCC/C(=N/OC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccccc2)cc1.CCn1c2ccc(/C(=N\OC(C)=O)c3ccc(OC(C)COC)cc3C)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.COCC(C)Oc1ccc(/C(=N/OC(C)=O)c2ccc3c(c2)c2cc([N+](=O)[O-])ccc2n3-c2ccccc2)c(C)c1.O=C(O/N=C(\CC1CCCC1)C(=O)c1ccc(Sc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H29N3O6.2C29H27NO4S.C28H29N3O6.C27H25NO3S.C27H27NO3S.C26H24N2O3.C23H19NO3S.C23H25NO3S.C19H19NO5S/c1-20-16-26(40-21(2)19-39-4)12-13-27(20)32(33-41-22(3)36)23-10-14-30-28(17-23)29-18-25(35(37)38)11-15-31(29)34(30)24-8-6-5-7-9-24;1-19(2)8-17-26(30-34-20(3)31)21-9-13-24(14-10-21)35-25-15-11-22(12-16-25)29(32)28-18-23-6-4-5-7-27(23)33-28;1-20(31)34-30-27(19-21-7-5-6-8-21)29(33)24-13-17-26(18-14-24)35-25-15-11-23(12-16-25)28(32)22-9-3-2-4-10-22;1-6-30-26-11-7-20(14-24(26)25-15-21(31(33)34)8-12-27(25)30)28(29-37-19(4)32)23-10-9-22(13-17(23)2)36-18(3)16-35-5;29-26(21-15-17-24(18-16-21)32-23-13-5-2-6-14-23)25(19-20-9-7-8-10-20)28-31-27(30)22-11-3-1-4-12-22;1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23;1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2;1-16-8-6-7-11-21(16)22(24-27-17(2)25)23(26)18-12-14-20(15-13-18)28-19-9-4-3-5-10-19;1-17(25)27-24-22(16-18-8-4-2-5-9-18)23(26)19-12-14-21(15-13-19)28-20-10-6-3-7-11-20;1-13(20-25-14(2)22)19(23)15-3-7-17(8-4-15)26-18-9-5-16(6-10-18)24-12-11-21/h5-18,21H,19H2,1-4H3;4-7,9-16,18-19H,8,17H2,1-3H3;2-4,9-18,21H,5-8,19H2,1H3;7-15,18H,6,16H2,1-5H3;1-6,11-18,20H,7-10,19H2;5-10,12-15,17-20H,2-4,11,16H2,1H3;6-15H,5H2,1-4H3;3-15H,1-2H3;3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3;3-10,21H,11-12H2,1-2H3/b33-32+;30-26-;30-27+;29-28+;28-25+;28-25-;27-17+;2*24-22-;20-13-
InChIKeyJUTNBSNWPBJWLB-YUJUQNBLSA-N
MW4486.43 g/mol
LogP60.95
Rot. Bonds81

About [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate

[(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate (PubChem CID 172974377) has the molecular formula C263H251N15O40S7 and a molecular weight of 4486.43 g/mol. Its IUPAC name is [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate.

Molecular Properties

Compound Name[(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
PubChem CID172974377
Molecular FormulaC263H251N15O40S7
Molecular Weight4486.43 g/mol
Exact Mass4482.61
IUPAC Name[(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
SMILESCC(=O)O/N=C(/C)C(=O)c1ccc(Sc2ccc(OCCO)cc2)cc1.CC(=O)O/N=C(/CC1CCCCC1)C(=O)c1ccc(Sc2ccccc2)cc1.CC(=O)O/N=C(/CCC(C)C)c1ccc(Sc2ccc(C(=O)c3cc4ccccc4o3)cc2)cc1.CC(=O)O/N=C(\C(=O)c1ccc(Sc2ccccc2)cc1)c1ccccc1C.CC(=O)O/N=C(\CC1CCCC1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCCCCC/C(=N/OC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccccc2)cc1.CCn1c2ccc(/C(=N\OC(C)=O)c3ccc(OC(C)COC)cc3C)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.COCC(C)Oc1ccc(/C(=N/OC(C)=O)c2ccc3c(c2)c2cc([N+](=O)[O-])ccc2n3-c2ccccc2)c(C)c1.O=C(O/N=C(\CC1CCCC1)C(=O)c1ccc(Sc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H29N3O6.2C29H27NO4S.C28H29N3O6.C27H25NO3S.C27H27NO3S.C26H24N2O3.C23H19NO3S.C23H25NO3S.C19H19NO5S/c1-20-16-26(40-21(2)19-39-4)12-13-27(20)32(33-41-22(3)36)23-10-14-30-28(17-23)29-18-25(35(37)38)11-15-31(29)34(30)24-8-6-5-7-9-24;1-19(2)8-17-26(30-34-20(3)31)21-9-13-24(14-10-21)35-25-15-11-22(12-16-25)29(32)28-18-23-6-4-5-7-27(23)33-28;1-20(31)34-30-27(19-21-7-5-6-8-21)29(33)24-13-17-26(18-14-24)35-25-15-11-23(12-16-25)28(32)22-9-3-2-4-10-22;1-6-30-26-11-7-20(14-24(26)25-15-21(31(33)34)8-12-27(25)30)28(29-37-19(4)32)23-10-9-22(13-17(23)2)36-18(3)16-35-5;29-26(21-15-17-24(18-16-21)32-23-13-5-2-6-14-23)25(19-20-9-7-8-10-20)28-31-27(30)22-11-3-1-4-12-22;1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23;1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2;1-16-8-6-7-11-21(16)22(24-27-17(2)25)23(26)18-12-14-20(15-13-18)28-19-9-4-3-5-10-19;1-17(25)27-24-22(16-18-8-4-2-5-9-18)23(26)19-12-14-21(15-13-19)28-20-10-6-3-7-11-20;1-13(20-25-14(2)22)19(23)15-3-7-17(8-4-15)26-18-9-5-16(6-10-18)24-12-11-21/h5-18,21H,19H2,1-4H3;4-7,9-16,18-19H,8,17H2,1-3H3;2-4,9-18,21H,5-8,19H2,1H3;7-15,18H,6,16H2,1-5H3;1-6,11-18,20H,7-10,19H2;5-10,12-15,17-20H,2-4,11,16H2,1H3;6-15H,5H2,1-4H3;3-15H,1-2H3;3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3;3-10,21H,11-12H2,1-2H3/b33-32+;30-26-;30-27+;29-28+;28-25+;28-25-;27-17+;2*24-22-;20-13-
InChIKeyJUTNBSNWPBJWLB-YUJUQNBLSA-N
XLogP60.95
TPSA720.82 Ų
H-Bond Donors1
H-Bond Acceptors60
Rotatable Bonds81
Heavy Atoms325
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004486.43
LogP ≤ 560.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1060

Analyze [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate with MolForge

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Related Compounds

[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate
CID 162463661
[(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate
CID 172985010
[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate
CID 118347566
[[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate
CID 76678118
[(Z)-benzo[e][1]benzofuran-1-ylideneamino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
CID 172918187
[(Z)-benzo[e][1]benzofuran-1-ylideneamino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate;methane;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
CID 172940240
[(E)-[3-cyclohexyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] benzoate
CID 145376485
[(E)-[4-cyclohexyl-1-[4-[4-(furan-2-carbonyl)phenyl]sulfanylphenyl]-1-oxobutan-2-ylidene]amino] benzoate;[(E)-[4-cyclohexyl-1-[4-[4-(2-methylbenzoyl)phenyl]sulfanylphenyl]-1-oxobutan-2-ylidene]amino] benzoate;[(E)-[4-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)butan-2-ylidene]amino] methyl carbonate;2-O-[(E)-[4-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)butan-2-ylidene]amino] 1-O-methyl oxalate;[(E)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopropyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] octanoate
CID 172984573
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(Z)-[3-(3-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
CID 172959785
[[1-[6-(2-acetyloxyimino-3-cyclohexylpropanoyl)-9-ethylcarbazol-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 175369821
[(Z)-[2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-(2-methyl-4-nitrophenyl)-2-oxoethylidene]amino] acetate;[(Z)-[2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-(2-methyl-5-nitrophenyl)-2-oxoethylidene]amino] acetate;[(Z)-[2-[4-[4-(2-methylbenzoyl)phenyl]sulfanylphenyl]-1-(2-methyl-4-nitrophenyl)-2-oxoethylidene]amino] acetate;[(Z)-[2-[4-[4-(2-methylbenzoyl)phenyl]sulfanylphenyl]-1-(2-methyl-5-nitrophenyl)-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-4-nitrophenyl)-2-[4-[4-(4-morpholin-4-ylbenzoyl)phenyl]sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-5-nitrophenyl)-2-[4-[4-(4-morpholin-4-ylbenzoyl)phenyl]sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-4-nitrophenyl)-2-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-5-nitrophenyl)-2-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-5-nitrophenyl)-2-[4-(4-nitrophenyl)sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-4-nitrophenyl)-2-oxo-2-[4-[4-(4-phenylbenzoyl)phenyl]sulfanylphenyl]ethylidene]amino] acetate;[(Z)-[1-(2-methyl-5-nitrophenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate
CID 172946669
[(Z)-[2-[4-[4-(2-methylbenzoyl)phenyl]sulfanylphenyl]-1-(2-methyl-4-nitrophenyl)-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-4-nitrophenyl)-2-[4-[4-(4-morpholin-4-ylbenzoyl)phenyl]sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-4-nitrophenyl)-2-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-5-nitrophenyl)-2-[4-(4-nitrophenyl)sulfanylphenyl]-2-oxoethylidene]amino] acetate;[(Z)-[1-(2-methyl-4-nitrophenyl)-2-oxo-2-[4-[4-(4-phenylbenzoyl)phenyl]sulfanylphenyl]ethylidene]amino] acetate;[(Z)-[1-(2-methyl-5-nitrophenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate
CID 172917875

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate?
The IUPAC name of [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate (CID 172974377) is [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate.
What is the SMILES notation for [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate?
The canonical SMILES for [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate is CC(=O)O/N=C(/C)C(=O)c1ccc(Sc2ccc(OCCO)cc2)cc1.CC(=O)O/N=C(/CC1CCCCC1)C(=O)c1ccc(Sc2ccccc2)cc1.CC(=O)O/N=C(/CCC(C)C)c1ccc(Sc2ccc(C(=O)c3cc4ccccc4o3)cc2)cc1.CC(=O)O/N=C(\C(=O)c1ccc(Sc2ccccc2)cc1)c1ccccc1C.CC(=O)O/N=C(\CC1CCCC1)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.CCCCCC/C(=N/OC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccccc2)cc1.CCn1c2ccc(/C(=N\OC(C)=O)c3ccc(OC(C)COC)cc3C)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.COCC(C)Oc1ccc(/C(=N/OC(C)=O)c2ccc3c(c2)c2cc([N+](=O)[O-])ccc2n3-c2ccccc2)c(C)c1.O=C(O/N=C(\CC1CCCC1)C(=O)c1ccc(Sc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate?
The InChIKey is JUTNBSNWPBJWLB-YUJUQNBLSA-N. The full InChI is InChI=1S/C32H29N3O6.2C29H27NO4S.C28H29N3O6.C27H25NO3S.C27H27NO3S.C26H24N2O3.C23H19NO3S.C23H25NO3S.C19H19NO5S/c1-20-16-26(40-21(2)19-39-4)12-13-27(20)32(33-41-22(3)36)23-10-14-30-28(17-23)29-18-25(35(37)38)11-15-31(29)34(30)24-8-6-5-7-9-24;1-19(2)8-17-26(30-34-20(3)31)21-9-13-24(14-10-21)35-25-15-11-22(12-16-25)29(32)28-18-23-6-4-5-7-27(23)33-28;1-20(31)34-30-27(19-21-7-5-6-8-21)29(33)24-13-17-26(18-14-24)35-25-15-11-23(12-16-25)28(32)22-9-3-2-4-10-22;1-6-30-26-11-7-20(14-24(26)25-15-21(31(33)34)8-12-27(25)30)28(29-37-19(4)32)23-10-9-22(13-17(23)2)36-18(3)16-35-5;29-26(21-15-17-24(18-16-21)32-23-13-5-2-6-14-23)25(19-20-9-7-8-10-20)28-31-27(30)22-11-3-1-4-12-22;1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23;1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2;1-16-8-6-7-11-21(16)22(24-27-17(2)25)23(26)18-12-14-20(15-13-18)28-19-9-4-3-5-10-19;1-17(25)27-24-22(16-18-8-4-2-5-9-18)23(26)19-12-14-21(15-13-19)28-20-10-6-3-7-11-20;1-13(20-25-14(2)22)19(23)15-3-7-17(8-4-15)26-18-9-5-16(6-10-18)24-12-11-21/h5-18,21H,19H2,1-4H3;4-7,9-16,18-19H,8,17H2,1-3H3;2-4,9-18,21H,5-8,19H2,1H3;7-15,18H,6,16H2,1-5H3;1-6,11-18,20H,7-10,19H2;5-10,12-15,17-20H,2-4,11,16H2,1H3;6-15H,5H2,1-4H3;3-15H,1-2H3;3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3;3-10,21H,11-12H2,1-2H3/b33-32+;30-26-;30-27+;29-28+;28-25+;28-25-;27-17+;2*24-22-;20-13-.
What are the key properties of [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate?
[(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate has a molecular weight of 4486.43 g/mol, XLogP of 60.95, 81 rotatable bonds, 1 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-cyclopentyl-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)propan-2-ylidene]amino] benzoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate;[(Z)-[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(6-nitro-9-phenylcarbazol-3-yl)methylidene]amino] acetate;[(Z)-[1-(2-methylphenyl)-2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate is sourced from PubChem (CID 172974377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).