2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
C132H120Cl8N16O8S5 — CID 158854898
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(SC2(C(=O)NCCN3CCN(C)CC3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)NCc3cccs3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCc3ccccn3)CC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@]2(C(=O)NCc3ccccn3)CC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cn(C)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C34H37Cl2N5O2S.2C33H28Cl2N4O2S.C32H27Cl2N3O2S2/c1-23-4-11-27(12-5-23)44-34(33(43)37-14-15-40-18-16-38(2)17-19-40)21-31(42)41(26-9-6-24(35)7-10-26)32(34)29-22-39(3)30-20-25(36)8-13-28(29)30;2*1-21-6-13-26(14-7-21)42-33(32(41)37-19-24-5-3-4-16-36-24)18-30(40)39(25-11-8-22(34)9-12-25)31(33)28-20-38(2)29-17-23(35)10-15-27(28)29;1-20-5-12-24(13-6-20)41-32(31(39)35-18-25-4-3-15-40-25)17-29(38)37(23-10-7-21(33)8-11-23)30(32)27-19-36(2)28-16-22(34)9-14-26(27)28/h4-13,20,22,32H,14-19,21H2,1-3H3,(H,37,43);2*3-17,20,31H,18-19H2,1-2H3,(H,37,41);3-16,19,30H,17-18H2,1-2H3,(H,35,39)/t;31-,33+;31-,33-;/m.00./s1
InChIKeyIZXQSXVTMDPIIH-OWNFHTLLSA-N
MW2502.47 g/mol
LogP29.37
Rot. Bonds29
About 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 158854898) has the molecular formula C132H120Cl8N16O8S5 and a molecular weight of 2502.47 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
Molecular Properties
| Compound Name | 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide |
|---|---|
| PubChem CID | 158854898 |
| Molecular Formula | C132H120Cl8N16O8S5 |
| Molecular Weight | 2502.47 g/mol |
| Exact Mass | 2496.56 |
| IUPAC Name | 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide |
| SMILES | Cc1ccc(SC2(C(=O)NCCN3CCN(C)CC3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)NCc3cccs3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCc3ccccn3)CC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@]2(C(=O)NCc3ccccn3)CC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cn(C)c3cc(Cl)ccc23)cc1 |
| InChI | InChI=1S/C34H37Cl2N5O2S.2C33H28Cl2N4O2S.C32H27Cl2N3O2S2/c1-23-4-11-27(12-5-23)44-34(33(43)37-14-15-40-18-16-38(2)17-19-40)21-31(42)41(26-9-6-24(35)7-10-26)32(34)29-22-39(3)30-20-25(36)8-13-28(29)30;2*1-21-6-13-26(14-7-21)42-33(32(41)37-19-24-5-3-4-16-36-24)18-30(40)39(25-11-8-22(34)9-12-25)31(33)28-20-38(2)29-17-23(35)10-15-27(28)29;1-20-5-12-24(13-6-20)41-32(31(39)35-18-25-4-3-15-40-25)17-29(38)37(23-10-7-21(33)8-11-23)30(32)27-19-36(2)28-16-22(34)9-14-26(27)28/h4-13,20,22,32H,14-19,21H2,1-3H3,(H,37,43);2*3-17,20,31H,18-19H2,1-2H3,(H,37,41);3-16,19,30H,17-18H2,1-2H3,(H,35,39)/t;31-,33+;31-,33-;/m.00./s1 |
| InChIKey | IZXQSXVTMDPIIH-OWNFHTLLSA-N |
| XLogP | 29.37 |
| TPSA | 249.62 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 169 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2502.47 |
| LogP ≤ 5 | 29.37 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 158854898) is 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(SC2(C(=O)NCCN3CCN(C)CC3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)NCc3cccs3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@@]2(C(=O)NCc3ccccn3)CC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cn(C)c3cc(Cl)ccc23)cc1.Cc1ccc(S[C@]2(C(=O)NCc3ccccn3)CC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cn(C)c3cc(Cl)ccc23)cc1.
What is the InChIKey of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is IZXQSXVTMDPIIH-OWNFHTLLSA-N. The full InChI is InChI=1S/C34H37Cl2N5O2S.2C33H28Cl2N4O2S.C32H27Cl2N3O2S2/c1-23-4-11-27(12-5-23)44-34(33(43)37-14-15-40-18-16-38(2)17-19-40)21-31(42)41(26-9-6-24(35)7-10-26)32(34)29-22-39(3)30-20-25(36)8-13-28(29)30;2*1-21-6-13-26(14-7-21)42-33(32(41)37-19-24-5-3-4-16-36-24)18-30(40)39(25-11-8-22(34)9-12-25)31(33)28-20-38(2)29-17-23(35)10-15-27(28)29;1-20-5-12-24(13-6-20)41-32(31(39)35-18-25-4-3-15-40-25)17-29(38)37(23-10-7-21(33)8-11-23)30(32)27-19-36(2)28-16-22(34)9-14-26(27)28/h4-13,20,22,32H,14-19,21H2,1-3H3,(H,37,43);2*3-17,20,31H,18-19H2,1-2H3,(H,37,41);3-16,19,30H,17-18H2,1-2H3,(H,35,39)/t;31-,33+;31-,33-;/m.00./s1.
What are the key properties of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 2502.47 g/mol, XLogP of 29.37, 29 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 158854898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158854898 — identifiers, structure, computed properties (public domain)
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