5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione

C130H129ClN4O30S6 — CID 157074493

About 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione

5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione (PubChem CID 157074493) has the molecular formula C130H129ClN4O30S6 and a molecular weight of 2455.31 g/mol. Its IUPAC name is 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione
• PubChem CID: 157074493
• Molecular Formula: C130H129ClN4O30S6
• Molecular Weight: 2455.31 g/mol
• Exact Mass: 2452.67
• IUPAC Name: 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione
• SMILES: CCc1ccc(C(=O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.Cc1ccc(C(COc2ccc(CC3SC(=O)CC3=O)cc2)OCc2oc(=O)oc2C(C)C)cc1.O=C1CC(=O)C(Cc2ccc(OCC(OCc3coc(=O)o3)c3cccc(Cl)c3)cc2)S1
• InChI: InChI=1S/C27H28O7S.C23H19ClO7S.3C20H21NO4S.C20H19NO4S/c1-16(2)26-23(33-27(30)34-26)15-32-22(19-8-4-17(3)5-9-19)14-31-20-10-6-18(7-11-20)12-24-21(28)13-25(29)35-24;24-16-3-1-2-15(9-16)20(29-11-18-12-30-23(27)31-18)13-28-17-6-4-14(5-7-17)8-21-19(25)10-22(26)32-21;4*1-2-13-5-8-16(21-11-13)18(23)12-25-15-6-3-14(4-7-15)9-19-17(22)10-20(24)26-19/h4-11,16,22,24H,12-15H2,1-3H3;1-7,9,12,20-21H,8,10-11,13H2;3*3-8,11,18-19,23H,2,9-10,12H2,1H3;3-8,11,19H,2,9-10,12H2,1H3/t;;2*18-,19?;;/m..10../s1
• InChIKey: ACUVBPQONMYLQD-ONAZOSSHSA-N
• XLogP: 21.26
• TPSA: 494.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 47
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2455.31
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione?

The IUPAC name of 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione (CID 157074493) is 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione.

What is the SMILES notation for 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione?

The canonical SMILES for 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione is CCc1ccc(C(=O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1.Cc1ccc(C(COc2ccc(CC3SC(=O)CC3=O)cc2)OCc2oc(=O)oc2C(C)C)cc1.O=C1CC(=O)C(Cc2ccc(OCC(OCc3coc(=O)o3)c3cccc(Cl)c3)cc2)S1.

What is the InChIKey of 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione?

The InChIKey is ACUVBPQONMYLQD-ONAZOSSHSA-N. The full InChI is InChI=1S/C27H28O7S.C23H19ClO7S.3C20H21NO4S.C20H19NO4S/c1-16(2)26-23(33-27(30)34-26)15-32-22(19-8-4-17(3)5-9-19)14-31-20-10-6-18(7-11-20)12-24-21(28)13-25(29)35-24;24-16-3-1-2-15(9-16)20(29-11-18-12-30-23(27)31-18)13-28-17-6-4-14(5-7-17)8-21-19(25)10-22(26)32-21;4*1-2-13-5-8-16(21-11-13)18(23)12-25-15-6-3-14(4-7-15)9-19-17(22)10-20(24)26-19/h4-11,16,22,24H,12-15H2,1-3H3;1-7,9,12,20-21H,8,10-11,13H2;3*3-8,11,18-19,23H,2,9-10,12H2,1H3;3-8,11,19H,2,9-10,12H2,1H3/t;;2*18-,19?;;/m..10../s1.

What are the key properties of 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione?

5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione has a molecular weight of 2455.31 g/mol, XLogP of 21.26, 47 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[2-(3-chlorophenyl)-2-[(2-oxo-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(4-methylphenyl)-2-[(2-oxo-5-propan-2-yl-1,3-dioxol-4-yl)methoxy]ethoxy]phenyl]methyl]thiolane-2,4-dione is sourced from PubChem (CID 157074493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).