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

C94H91Cl6N11O8S3 — CID 157148696

IUPAC2-(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
SMILESCc1ccc(SC2(C(=O)N(C)C)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)N3CCNC(=O)C3)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C34H36Cl2N4O3S.C31H28Cl2N4O3S.C29H27Cl2N3O2S/c1-23-3-10-27(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;1-19-2-9-23(10-3-19)41-31(30(40)36-13-12-34-27(38)18-36)15-28(39)37(17-20-4-6-21(32)7-5-20)29(31)25-16-35-26-14-22(33)8-11-24(25)26;1-18-4-11-22(12-5-18)37-29(28(36)33(2)3)15-26(35)34(17-19-6-8-20(30)9-7-19)27(29)24-16-32-25-14-21(31)10-13-23(24)25/h3-12,19,21,32,38H,2,13-18,20,22H2,1H3,(H,37,42);2-11,14,16,29,35H,12-13,15,17-18H2,1H3,(H,34,38);4-14,16,27,32H,15,17H2,1-3H3
InChIKeyAKZULEIRTOMWFX-UHFFFAOYSA-N
MW1811.75 g/mol
LogP19.25
Rot. Bonds22

About 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

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 (PubChem CID 157148696) has the molecular formula C94H91Cl6N11O8S3 and a molecular weight of 1811.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157148696
Molecular FormulaC94H91Cl6N11O8S3
Molecular Weight1811.75 g/mol
Exact Mass1807.43
IUPAC Name2-(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
SMILESCc1ccc(SC2(C(=O)N(C)C)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)N3CCNC(=O)C3)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C34H36Cl2N4O3S.C31H28Cl2N4O3S.C29H27Cl2N3O2S/c1-23-3-10-27(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;1-19-2-9-23(10-3-19)41-31(30(40)36-13-12-34-27(38)18-36)15-28(39)37(17-20-4-6-21(32)7-5-20)29(31)25-16-35-26-14-22(33)8-11-24(25)26;1-18-4-11-22(12-5-18)37-29(28(36)33(2)3)15-26(35)34(17-19-6-8-20(30)9-7-19)27(29)24-16-32-25-14-21(31)10-13-23(24)25/h3-12,19,21,32,38H,2,13-18,20,22H2,1H3,(H,37,42);2-11,14,16,29,35H,12-13,15,17-18H2,1H3,(H,34,38);4-14,16,27,32H,15,17H2,1-3H3
InChIKeyAKZULEIRTOMWFX-UHFFFAOYSA-N
XLogP19.25
TPSA219.59 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001811.75
LogP ≤ 519.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(SC2(C(=O)N(C)C)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)N3CCNC(=O)C3)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1.Cc1ccc(SC2(C(=O)NCCCN3CCOCC3)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is AKZULEIRTOMWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36Cl2N4O3S.C31H28Cl2N4O3S.C29H27Cl2N3O2S/c1-23-3-10-27(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;1-19-2-9-23(10-3-19)41-31(30(40)36-13-12-34-27(38)18-36)15-28(39)37(17-20-4-6-21(32)7-5-20)29(31)25-16-35-26-14-22(33)8-11-24(25)26;1-18-4-11-22(12-5-18)37-29(28(36)33(2)3)15-26(35)34(17-19-6-8-20(30)9-7-19)27(29)24-16-32-25-14-21(31)10-13-23(24)25/h3-12,19,21,32,38H,2,13-18,20,22H2,1H3,(H,37,42);2-11,14,16,29,35H,12-13,15,17-18H2,1H3,(H,34,38);4-14,16,27,32H,15,17H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1811.75 g/mol, XLogP of 19.25, 22 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157148696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).