(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one

C201H205Br5Cl7FN22O20S6 — CID 159579574

IUPAC(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one
SMILESCc1ccc(S[C@@]2(C(=O)N3CCCC(=O)C3)CC(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2c[nH]c3cc(Br)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Br)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Cl)ccc23)cc1.O=C1CC(C(=O)NCCCN2CCOCC2)(S(=O)(=O)c2ccc(Cl)cc2)C(c2c[nH]c3cc(Cl)ccc23)N1Cc1ccc(Cl)cc1.O=C1C[C@](Sc2ccccc2)(C(=O)CCCCN2CCOCC2)[C@H](c2c[nH]c3cc(F)ccc23)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C34H36Br2N4O3S.2C34H36BrClN4O3S.C34H35ClFN3O3S.C33H33Cl3N4O5S.C32H29BrClN3O3S/c3*1-23-3-10-27(11-4-23)44-34(33(42)37-13-2-14-39-15-17-43-18-16-39)20-31(41)40(22-24-5-7-25(35)8-6-24)32(34)29-21-38-30-19-26(36)9-12-28(29)30;35-25-11-9-24(10-12-25)23-39-32(41)21-34(43-27-6-2-1-3-7-27,31(40)8-4-5-15-38-16-18-42-19-17-38)33(39)29-22-37-30-20-26(36)13-14-28(29)30;34-23-4-2-22(3-5-23)21-40-30(41)19-33(46(43,44)26-9-6-24(35)7-10-26,32(42)37-12-1-13-39-14-16-45-17-15-39)31(40)28-20-38-29-18-25(36)8-11-27(28)29;1-20-4-11-25(12-5-20)41-32(31(40)36-14-2-3-24(38)19-36)16-29(39)37(18-21-6-9-23(34)10-7-21)30(32)27-17-35-28-15-22(33)8-13-26(27)28/h3*3-12,19,21,32,38H,2,13-18,20,22H2,1H3,(H,37,42);1-3,6-7,9-14,20,22,33,37H,4-5,8,15-19,21,23H2;2-11,18,20,31,38H,1,12-17,19,21H2,(H,37,42);4-13,15,17,30,35H,2-3,14,16,18-19H2,1H3/t32-,34-;32-,34+;32-,34-;33-,34-;;30-,32-/m0000.0/s1
InChIKeyMIVMXJOPYKYQKN-ZQZAOGBESA-N
MW4108.08 g/mol
LogP40.09
Rot. Bonds57

About (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one

(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one (PubChem CID 159579574) has the molecular formula C201H205Br5Cl7FN22O20S6 and a molecular weight of 4108.08 g/mol. Its IUPAC name is (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one
PubChem CID159579574
Molecular FormulaC201H205Br5Cl7FN22O20S6
Molecular Weight4108.08 g/mol
Exact Mass4096.77
IUPAC Name(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one
SMILESCc1ccc(S[C@@]2(C(=O)N3CCCC(=O)C3)CC(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2c[nH]c3cc(Br)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Br)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Cl)ccc23)cc1.O=C1CC(C(=O)NCCCN2CCOCC2)(S(=O)(=O)c2ccc(Cl)cc2)C(c2c[nH]c3cc(Cl)ccc23)N1Cc1ccc(Cl)cc1.O=C1C[C@](Sc2ccccc2)(C(=O)CCCCN2CCOCC2)[C@H](c2c[nH]c3cc(F)ccc23)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C34H36Br2N4O3S.2C34H36BrClN4O3S.C34H35ClFN3O3S.C33H33Cl3N4O5S.C32H29BrClN3O3S/c3*1-23-3-10-27(11-4-23)44-34(33(42)37-13-2-14-39-15-17-43-18-16-39)20-31(41)40(22-24-5-7-25(35)8-6-24)32(34)29-21-38-30-19-26(36)9-12-28(29)30;35-25-11-9-24(10-12-25)23-39-32(41)21-34(43-27-6-2-1-3-7-27,31(40)8-4-5-15-38-16-18-42-19-17-38)33(39)29-22-37-30-20-26(36)13-14-28(29)30;34-23-4-2-22(3-5-23)21-40-30(41)19-33(46(43,44)26-9-6-24(35)7-10-26,32(42)37-12-1-13-39-14-16-45-17-15-39)31(40)28-20-38-29-18-25(36)8-11-27(28)29;1-20-4-11-25(12-5-20)41-32(31(40)36-14-2-3-24(38)19-36)16-29(39)37(18-21-6-9-23(34)10-7-21)30(32)27-17-35-28-15-22(33)8-13-26(27)28/h3*3-12,19,21,32,38H,2,13-18,20,22H2,1H3,(H,37,42);1-3,6-7,9-14,20,22,33,37H,4-5,8,15-19,21,23H2;2-11,18,20,31,38H,1,12-17,19,21H2,(H,37,42);4-13,15,17,30,35H,2-3,14,16,18-19H2,1H3/t32-,34-;32-,34+;32-,34-;33-,34-;;30-,32-/m0000.0/s1
InChIKeyMIVMXJOPYKYQKN-ZQZAOGBESA-N
XLogP40.09
TPSA483.94 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds57
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004108.08
LogP ≤ 540.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one with MolForge

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Related Compounds

(2S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 70909307
(2R,3R)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66754254
(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 59249902
2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-N,N-dimethyl-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;4-[2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperazin-2-one
CID 157148696
(2S,3R)-2-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 59249979
(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(4-chloro-2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide
CID 59249869
(4R,5S)-5-(6-chloro-1H-indol-3-yl)-1-[(4-chloro-2-methylphenyl)methyl]-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one
CID 159819506
1-[(4-bromophenyl)methyl]-N-[2-[2-[[1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]amino]ethoxy]ethyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxamide;4-[(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]-1-methylpiperazin-2-one;ethyl 4-[(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 158151379
(4S,5S)-1-[(4-bromophenyl)methyl]-5-(6-chloro-1H-indol-3-yl)-4-(4-ethylpiperazine-1-carbonyl)-4-(4-methylphenyl)sulfanylpyrrolidin-2-one;(4S,5S)-1-[(4-bromophenyl)methyl]-5-(6-chloro-1H-indol-3-yl)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-4-(4-methylphenyl)sulfanylpyrrolidin-2-one;(4S,5S)-1-[(4-bromophenyl)methyl]-5-(6-chloro-1H-indol-3-yl)-4-(4-methylphenyl)sulfanyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(4S,5S)-1-[(4-bromophenyl)methyl]-5-(6-chloro-1H-indol-3-yl)-4-(4-methylphenyl)sulfanyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one;4-[(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperazin-2-one;(4S,5S)-1-[(4-bromophenyl)methyl]-5-(6-chloro-1H-indol-3-yl)-4-(4-methylphenyl)sulfanyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 158926258
(2R,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-N-(2,3-dihydroxypropyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxamide
CID 66754870
(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 59249699
4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 59249749

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one?
The IUPAC name of (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one (CID 159579574) is (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one.
What is the SMILES notation for (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one?
The canonical SMILES for (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one is Cc1ccc(S[C@@]2(C(=O)N3CCCC(=O)C3)CC(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2c[nH]c3cc(Br)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Br)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@]2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Br)cc3)[C@H]2c2c[nH]c3cc(Cl)ccc23)cc1.O=C1CC(C(=O)NCCCN2CCOCC2)(S(=O)(=O)c2ccc(Cl)cc2)C(c2c[nH]c3cc(Cl)ccc23)N1Cc1ccc(Cl)cc1.O=C1C[C@](Sc2ccccc2)(C(=O)CCCCN2CCOCC2)[C@H](c2c[nH]c3cc(F)ccc23)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one?
The InChIKey is MIVMXJOPYKYQKN-ZQZAOGBESA-N. The full InChI is InChI=1S/C34H36Br2N4O3S.2C34H36BrClN4O3S.C34H35ClFN3O3S.C33H33Cl3N4O5S.C32H29BrClN3O3S/c3*1-23-3-10-27(11-4-23)44-34(33(42)37-13-2-14-39-15-17-43-18-16-39)20-31(41)40(22-24-5-7-25(35)8-6-24)32(34)29-21-38-30-19-26(36)9-12-28(29)30;35-25-11-9-24(10-12-25)23-39-32(41)21-34(43-27-6-2-1-3-7-27,31(40)8-4-5-15-38-16-18-42-19-17-38)33(39)29-22-37-30-20-26(36)13-14-28(29)30;34-23-4-2-22(3-5-23)21-40-30(41)19-33(46(43,44)26-9-6-24(35)7-10-26,32(42)37-12-1-13-39-14-16-45-17-15-39)31(40)28-20-38-29-18-25(36)8-11-27(28)29;1-20-4-11-25(12-5-20)41-32(31(40)36-14-2-3-24(38)19-36)16-29(39)37(18-21-6-9-23(34)10-7-21)30(32)27-17-35-28-15-22(33)8-13-26(27)28/h3*3-12,19,21,32,38H,2,13-18,20,22H2,1H3,(H,37,42);1-3,6-7,9-14,20,22,33,37H,4-5,8,15-19,21,23H2;2-11,18,20,31,38H,1,12-17,19,21H2,(H,37,42);4-13,15,17,30,35H,2-3,14,16,18-19H2,1H3/t32-,34-;32-,34+;32-,34-;33-,34-;;30-,32-/m0000.0/s1.
What are the key properties of (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one?
(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one has a molecular weight of 4108.08 g/mol, XLogP of 40.09, 57 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;1-[(2S,3S)-2-(6-bromo-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;(2S,3S)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(2S,3R)-1-[(4-bromophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide;(4R,5S)-1-[(4-chlorophenyl)methyl]-5-(6-fluoro-1H-indol-3-yl)-4-(5-morpholin-4-ylpentanoyl)-4-phenylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 159579574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).