3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

C95H88N10O26S8 — CID 157240088

About 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 157240088) has the molecular formula C95H88N10O26S8 and a molecular weight of 2042.33 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 157240088
• Molecular Formula: C95H88N10O26S8
• Molecular Weight: 2042.33 g/mol
• Exact Mass: 2040.36
• IUPAC Name: 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
• SMILES: Nc1ccccc1SC1CC(=O)N(CCN2C(=O)CC(Sc3ccccc3N)C2=O)C1=O.O=C(O)c1ccccc1SC1CC(=O)N(CCN2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)C1=O.O=C(O)c1ccccc1SC1CC(=O)N(c2ccc(Cc3ccc(N4C(=O)CC(Sc5ccccc5C(=O)O)C4=O)cc3)cc2)C1=O.O=C1CC(SCCO)C(=O)N1CCN1C(=O)CC(SCCO)C1=O
• InChI: InChI=1S/C35H26N2O8S2.C24H20N2O8S2.C22H22N4O4S2.C14H20N2O6S2/c38-30-18-28(46-26-7-3-1-5-24(26)34(42)43)32(40)36(30)22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)37-31(39)19-29(33(37)41)47-27-8-4-2-6-25(27)35(44)45;27-19-11-17(35-15-7-3-1-5-13(15)23(31)32)21(29)25(19)9-10-26-20(28)12-18(22(26)30)36-16-8-4-2-6-14(16)24(33)34;23-13-5-1-3-7-15(13)31-17-11-19(27)25(21(17)29)9-10-26-20(28)12-18(22(26)30)32-16-8-4-2-6-14(16)24;17-3-5-23-9-7-11(19)15(13(9)21)1-2-16-12(20)8-10(14(16)22)24-6-4-18/h1-16,28-29H,17-19H2,(H,42,43)(H,44,45);1-8,17-18H,9-12H2,(H,31,32)(H,33,34);1-8,17-18H,9-12,23-24H2;9-10,17-18H,1-8H2
• InChIKey: AVCKJCVBJKDASU-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 540.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.33
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 157240088) is 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is Nc1ccccc1SC1CC(=O)N(CCN2C(=O)CC(Sc3ccccc3N)C2=O)C1=O.O=C(O)c1ccccc1SC1CC(=O)N(CCN2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)C1=O.O=C(O)c1ccccc1SC1CC(=O)N(c2ccc(Cc3ccc(N4C(=O)CC(Sc5ccccc5C(=O)O)C4=O)cc3)cc2)C1=O.O=C1CC(SCCO)C(=O)N1CCN1C(=O)CC(SCCO)C1=O.

What is the InChIKey of 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The InChIKey is AVCKJCVBJKDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O8S2.C24H20N2O8S2.C22H22N4O4S2.C14H20N2O6S2/c38-30-18-28(46-26-7-3-1-5-24(26)34(42)43)32(40)36(30)22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)37-31(39)19-29(33(37)41)47-27-8-4-2-6-25(27)35(44)45;27-19-11-17(35-15-7-3-1-5-13(15)23(31)32)21(29)25(19)9-10-26-20(28)12-18(22(26)30)36-16-8-4-2-6-14(16)24(33)34;23-13-5-1-3-7-15(13)31-17-11-19(27)25(21(17)29)9-10-26-20(28)12-18(22(26)30)32-16-8-4-2-6-14(16)24;17-3-5-23-9-7-11(19)15(13(9)21)1-2-16-12(20)8-10(14(16)22)24-6-4-18/h1-16,28-29H,17-19H2,(H,42,43)(H,44,45);1-8,17-18H,9-12H2,(H,31,32)(H,33,34);1-8,17-18H,9-12,23-24H2;9-10,17-18H,1-8H2.

What are the key properties of 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 2042.33 g/mol, XLogP of 8.43, 35 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 157240088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).