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

C116H112Cl8N12O12S4 — CID 157323209

IUPAC2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2ccccc2Cl)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2ccccc2Cl)C1c1ccc(Cl)cc1.O=C1CC(Sc2ccccc2)(C(=O)NCCCN2CCOCC2)C(c2c[nH]c3cc(Cl)ccc23)N1c1cccc(Cl)c1.O=C1CC(Sc2ccccc2)(C(=O)NCCCN2CCOCC2)C(c2ccc(Cl)cc2)N1c1cccc(Cl)c1
InChIInChI=1S/C32H32Cl2N4O3S.C30H31Cl2N3O3S.C28H25Cl2N3O3S.C26H24Cl2N2O3S/c33-22-6-4-7-24(18-22)38-29(39)20-32(42-25-8-2-1-3-9-25,31(40)35-12-5-13-37-14-16-41-17-15-37)30(38)27-21-36-28-19-23(34)10-11-26(27)28;31-23-12-10-22(11-13-23)28-30(39-26-8-2-1-3-9-26,21-27(36)35(28)25-7-4-6-24(32)20-25)29(37)33-14-5-15-34-16-18-38-19-17-34;1-36-14-13-31-27(35)28(37-19-7-3-2-4-8-19)16-25(34)33(24-10-6-5-9-22(24)30)26(28)21-17-32-23-15-18(29)11-12-20(21)23;1-33-16-15-29-25(32)26(34-20-7-3-2-4-8-20)17-23(31)30(22-10-6-5-9-21(22)28)24(26)18-11-13-19(27)14-12-18/h1-4,6-11,18-19,21,30,36H,5,12-17,20H2,(H,35,40);1-4,6-13,20,28H,5,14-19,21H2,(H,33,37);2-12,15,17,26,32H,13-14,16H2,1H3,(H,31,35);2-14,24H,15-17H2,1H3,(H,29,32)
InChIKeyBEKKFLNCKIXAIE-UHFFFAOYSA-N
MW2278.14 g/mol
LogP24.17
Rot. Bonds34

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

2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide (PubChem CID 157323209) has the molecular formula C116H112Cl8N12O12S4 and a molecular weight of 2278.14 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide
PubChem CID157323209
Molecular FormulaC116H112Cl8N12O12S4
Molecular Weight2278.14 g/mol
Exact Mass2272.49
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2ccccc2Cl)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2ccccc2Cl)C1c1ccc(Cl)cc1.O=C1CC(Sc2ccccc2)(C(=O)NCCCN2CCOCC2)C(c2c[nH]c3cc(Cl)ccc23)N1c1cccc(Cl)c1.O=C1CC(Sc2ccccc2)(C(=O)NCCCN2CCOCC2)C(c2ccc(Cl)cc2)N1c1cccc(Cl)c1
InChIInChI=1S/C32H32Cl2N4O3S.C30H31Cl2N3O3S.C28H25Cl2N3O3S.C26H24Cl2N2O3S/c33-22-6-4-7-24(18-22)38-29(39)20-32(42-25-8-2-1-3-9-25,31(40)35-12-5-13-37-14-16-41-17-15-37)30(38)27-21-36-28-19-23(34)10-11-26(27)28;31-23-12-10-22(11-13-23)28-30(39-26-8-2-1-3-9-26,21-27(36)35(28)25-7-4-6-24(32)20-25)29(37)33-14-5-15-34-16-18-38-19-17-34;1-36-14-13-31-27(35)28(37-19-7-3-2-4-8-19)16-25(34)33(24-10-6-5-9-22(24)30)26(28)21-17-32-23-15-18(29)11-12-20(21)23;1-33-16-15-29-25(32)26(34-20-7-3-2-4-8-20)17-23(31)30(22-10-6-5-9-21(22)28)24(26)18-11-13-19(27)14-12-18/h1-4,6-11,18-19,21,30,36H,5,12-17,20H2,(H,35,40);1-4,6-13,20,28H,5,14-19,21H2,(H,33,37);2-12,15,17,26,32H,13-14,16H2,1H3,(H,31,35);2-14,24H,15-17H2,1H3,(H,29,32)
InChIKeyBEKKFLNCKIXAIE-UHFFFAOYSA-N
XLogP24.17
TPSA272.62 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.14
LogP ≤ 524.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-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-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide (CID 157323209) is 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide is COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2ccccc2Cl)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2ccccc2Cl)C1c1ccc(Cl)cc1.O=C1CC(Sc2ccccc2)(C(=O)NCCCN2CCOCC2)C(c2c[nH]c3cc(Cl)ccc23)N1c1cccc(Cl)c1.O=C1CC(Sc2ccccc2)(C(=O)NCCCN2CCOCC2)C(c2ccc(Cl)cc2)N1c1cccc(Cl)c1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
The InChIKey is BEKKFLNCKIXAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl2N4O3S.C30H31Cl2N3O3S.C28H25Cl2N3O3S.C26H24Cl2N2O3S/c33-22-6-4-7-24(18-22)38-29(39)20-32(42-25-8-2-1-3-9-25,31(40)35-12-5-13-37-14-16-41-17-15-37)30(38)27-21-36-28-19-23(34)10-11-26(27)28;31-23-12-10-22(11-13-23)28-30(39-26-8-2-1-3-9-26,21-27(36)35(28)25-7-4-6-24(32)20-25)29(37)33-14-5-15-34-16-18-38-19-17-34;1-36-14-13-31-27(35)28(37-19-7-3-2-4-8-19)16-25(34)33(24-10-6-5-9-22(24)30)26(28)21-17-32-23-15-18(29)11-12-20(21)23;1-33-16-15-29-25(32)26(34-20-7-3-2-4-8-20)17-23(31)30(22-10-6-5-9-21(22)28)24(26)18-11-13-19(27)14-12-18/h1-4,6-11,18-19,21,30,36H,5,12-17,20H2,(H,35,40);1-4,6-13,20,28H,5,14-19,21H2,(H,33,37);2-12,15,17,26,32H,13-14,16H2,1H3,(H,31,35);2-14,24H,15-17H2,1H3,(H,29,32).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide?
2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide has a molecular weight of 2278.14 g/mol, XLogP of 24.17, 34 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-(2-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide is sourced from PubChem (CID 157323209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).