4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one

C93H84Cl6N12O9S3 — CID 159194399

IUPAC4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one
SMILESC[C@@H](c1ccc(Cl)cc1)N1C(=O)C[C@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12.C[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12.C[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/3C31H28Cl2N4O3S/c3*1-19(20-7-9-21(32)10-8-20)37-28(39)16-31(41-23-5-3-2-4-6-23,30(40)36-14-13-34-27(38)18-36)29(37)25-17-35-26-15-22(33)11-12-24(25)26/h3*2-12,15,17,19,29,35H,13-14,16,18H2,1H3,(H,34,38)/t19-,29+,31+;19-,29+,31-;19-,29-,31+/m110/s1
InChIKeyKOMDZXUUINVKDN-JHZHFHGYSA-N
MW1822.69 g/mol
LogP18.00
Rot. Bonds18

About 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one

4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one (PubChem CID 159194399) has the molecular formula C93H84Cl6N12O9S3 and a molecular weight of 1822.69 g/mol. Its IUPAC name is 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one
PubChem CID159194399
Molecular FormulaC93H84Cl6N12O9S3
Molecular Weight1822.69 g/mol
Exact Mass1818.38
IUPAC Name4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one
SMILESC[C@@H](c1ccc(Cl)cc1)N1C(=O)C[C@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12.C[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12.C[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/3C31H28Cl2N4O3S/c3*1-19(20-7-9-21(32)10-8-20)37-28(39)16-31(41-23-5-3-2-4-6-23,30(40)36-14-13-34-27(38)18-36)29(37)25-17-35-26-15-22(33)11-12-24(25)26/h3*2-12,15,17,19,29,35H,13-14,16,18H2,1H3,(H,34,38)/t19-,29+,31+;19-,29+,31-;19-,29-,31+/m110/s1
InChIKeyKOMDZXUUINVKDN-JHZHFHGYSA-N
XLogP18.00
TPSA256.53 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.69
LogP ≤ 518.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one (CID 159194399) is 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one is C[C@@H](c1ccc(Cl)cc1)N1C(=O)C[C@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12.C[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12.C[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@](Sc2ccccc2)(C(=O)N2CCNC(=O)C2)[C@@H]1c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one?
The InChIKey is KOMDZXUUINVKDN-JHZHFHGYSA-N. The full InChI is InChI=1S/3C31H28Cl2N4O3S/c3*1-19(20-7-9-21(32)10-8-20)37-28(39)16-31(41-23-5-3-2-4-6-23,30(40)36-14-13-34-27(38)18-36)29(37)25-17-35-26-15-22(33)11-12-24(25)26/h3*2-12,15,17,19,29,35H,13-14,16,18H2,1H3,(H,34,38)/t19-,29+,31+;19-,29+,31-;19-,29-,31+/m110/s1.
What are the key properties of 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one?
4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one has a molecular weight of 1822.69 g/mol, XLogP of 18.00, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 159194399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).