2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide

C106H110Cl8N10O12S4 — CID 157484485

IUPAC2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H25Cl2N3O3S.C27H31Cl2N3O3S.C26H24Cl2N2O3S.C25H30Cl2N2O3S/c1-36-13-12-31-27(35)28(37-21-8-3-2-4-9-21)16-25(34)33(20-7-5-6-18(29)14-20)26(28)23-17-32-24-15-19(30)10-11-22(23)24;1-17(2)9-12-36-27(26(34)30-10-11-35-3)15-24(33)32(20-6-4-5-18(28)13-20)25(27)22-16-31-23-14-19(29)7-8-21(22)23;1-33-15-14-29-25(32)26(34-22-8-3-2-4-9-22)17-23(31)30(21-7-5-6-20(28)16-21)24(26)18-10-12-19(27)13-11-18;1-17(2)11-14-33-25(24(31)28-12-13-32-3)16-22(30)29(21-6-4-5-20(27)15-21)23(25)18-7-9-19(26)10-8-18/h2-11,14-15,17,26,32H,12-13,16H2,1H3,(H,31,35);4-8,13-14,16-17,25,31H,9-12,15H2,1-3H3,(H,30,34);2-13,16,24H,14-15,17H2,1H3,(H,29,32);4-10,15,17,23H,11-14,16H2,1-3H3,(H,28,31)
InChIKeyBWNUVVNJSPDBKP-UHFFFAOYSA-N
MW2128.00 g/mol
LogP24.00
Rot. Bonds36

About 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide

2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide (PubChem CID 157484485) has the molecular formula C106H110Cl8N10O12S4 and a molecular weight of 2128.00 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide
PubChem CID157484485
Molecular FormulaC106H110Cl8N10O12S4
Molecular Weight2128.00 g/mol
Exact Mass2122.47
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H25Cl2N3O3S.C27H31Cl2N3O3S.C26H24Cl2N2O3S.C25H30Cl2N2O3S/c1-36-13-12-31-27(35)28(37-21-8-3-2-4-9-21)16-25(34)33(20-7-5-6-18(29)14-20)26(28)23-17-32-24-15-19(30)10-11-22(23)24;1-17(2)9-12-36-27(26(34)30-10-11-35-3)15-24(33)32(20-6-4-5-18(28)13-20)25(27)22-16-31-23-14-19(29)7-8-21(22)23;1-33-15-14-29-25(32)26(34-22-8-3-2-4-9-22)17-23(31)30(21-7-5-6-20(28)16-21)24(26)18-10-12-19(27)13-11-18;1-17(2)11-14-33-25(24(31)28-12-13-32-3)16-22(30)29(21-6-4-5-20(27)15-21)23(25)18-7-9-19(26)10-8-18/h2-11,14-15,17,26,32H,12-13,16H2,1H3,(H,31,35);4-8,13-14,16-17,25,31H,9-12,15H2,1-3H3,(H,30,34);2-13,16,24H,14-15,17H2,1H3,(H,29,32);4-10,15,17,23H,11-14,16H2,1-3H3,(H,28,31)
InChIKeyBWNUVVNJSPDBKP-UHFFFAOYSA-N
XLogP24.00
TPSA266.14 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002128.00
LogP ≤ 524.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide (CID 157484485) is 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide is COCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
The InChIKey is BWNUVVNJSPDBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O3S.C27H31Cl2N3O3S.C26H24Cl2N2O3S.C25H30Cl2N2O3S/c1-36-13-12-31-27(35)28(37-21-8-3-2-4-9-21)16-25(34)33(20-7-5-6-18(29)14-20)26(28)23-17-32-24-15-19(30)10-11-22(23)24;1-17(2)9-12-36-27(26(34)30-10-11-35-3)15-24(33)32(20-6-4-5-18(28)13-20)25(27)22-16-31-23-14-19(29)7-8-21(22)23;1-33-15-14-29-25(32)26(34-22-8-3-2-4-9-22)17-23(31)30(21-7-5-6-20(28)16-21)24(26)18-10-12-19(27)13-11-18;1-17(2)11-14-33-25(24(31)28-12-13-32-3)16-22(30)29(21-6-4-5-20(27)15-21)23(25)18-7-9-19(26)10-8-18/h2-11,14-15,17,26,32H,12-13,16H2,1H3,(H,31,35);4-8,13-14,16-17,25,31H,9-12,15H2,1-3H3,(H,30,34);2-13,16,24H,14-15,17H2,1H3,(H,29,32);4-10,15,17,23H,11-14,16H2,1-3H3,(H,28,31).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide has a molecular weight of 2128.00 g/mol, XLogP of 24.00, 36 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide is sourced from PubChem (CID 157484485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).