(5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone

C105H97ClF4N4O16S4 — CID 157130245

About (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone

(5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 157130245) has the molecular formula C105H97ClF4N4O16S4 and a molecular weight of 1910.66 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone
• PubChem CID: 157130245
• Molecular Formula: C105H97ClF4N4O16S4
• Molecular Weight: 1910.66 g/mol
• Exact Mass: 1908.54
• IUPAC Name: (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone
• SMILES: CCNCCOc1ccc(Oc2c(C(=O)c3cc(Cl)ccc3C)sc3cc(O)ccc23)cc1.CCNCCOc1ccc(Oc2c(C(=O)c3cc(F)ccc3C)sc3cc(O)ccc23)cc1.CCNCCOc1ccc(Oc2c(C(=O)c3ccc(C)cc3C)sc3cc(O)ccc23)cc1.CCNCCOc1ccc(Oc2c(C(=O)c3ccccc3C(F)(F)F)sc3cc(O)ccc23)cc1
• InChI: InChI=1S/C27H27NO4S.C26H24ClNO4S.C26H22F3NO4S.C26H24FNO4S/c1-4-28-13-14-31-20-7-9-21(10-8-20)32-26-23-12-6-19(29)16-24(23)33-27(26)25(30)22-11-5-17(2)15-18(22)3;1-3-28-12-13-31-19-7-9-20(10-8-19)32-25-21-11-6-18(29)15-23(21)33-26(25)24(30)22-14-17(27)5-4-16(22)2;1-2-30-13-14-33-17-8-10-18(11-9-17)34-24-20-12-7-16(31)15-22(20)35-25(24)23(32)19-5-3-4-6-21(19)26(27,28)29;1-3-28-12-13-31-19-7-9-20(10-8-19)32-25-21-11-6-18(29)15-23(21)33-26(25)24(30)22-14-17(27)5-4-16(22)2/h5-12,15-16,28-29H,4,13-14H2,1-3H3;4-11,14-15,28-29H,3,12-13H2,1-2H3;3-12,15,30-31H,2,13-14H2,1H3;4-11,14-15,28-29H,3,12-13H2,1-2H3
• InChIKey: AIZGVAQWNSLRKE-UHFFFAOYSA-N
• XLogP: 25.52
• TPSA: 271.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.66
LogP ≤ 5	25.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?

The IUPAC name of (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 157130245) is (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone.

What is the SMILES notation for (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?

The canonical SMILES for (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone is CCNCCOc1ccc(Oc2c(C(=O)c3cc(Cl)ccc3C)sc3cc(O)ccc23)cc1.CCNCCOc1ccc(Oc2c(C(=O)c3cc(F)ccc3C)sc3cc(O)ccc23)cc1.CCNCCOc1ccc(Oc2c(C(=O)c3ccc(C)cc3C)sc3cc(O)ccc23)cc1.CCNCCOc1ccc(Oc2c(C(=O)c3ccccc3C(F)(F)F)sc3cc(O)ccc23)cc1.

What is the InChIKey of (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?

The InChIKey is AIZGVAQWNSLRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4S.C26H24ClNO4S.C26H22F3NO4S.C26H24FNO4S/c1-4-28-13-14-31-20-7-9-21(10-8-20)32-26-23-12-6-19(29)16-24(23)33-27(26)25(30)22-11-5-17(2)15-18(22)3;1-3-28-12-13-31-19-7-9-20(10-8-19)32-25-21-11-6-18(29)15-23(21)33-26(25)24(30)22-14-17(27)5-4-16(22)2;1-2-30-13-14-33-17-8-10-18(11-9-17)34-24-20-12-7-16(31)15-22(20)35-25(24)23(32)19-5-3-4-6-21(19)26(27,28)29;1-3-28-12-13-31-19-7-9-20(10-8-19)32-25-21-11-6-18(29)15-23(21)33-26(25)24(30)22-14-17(27)5-4-16(22)2/h5-12,15-16,28-29H,4,13-14H2,1-3H3;4-11,14-15,28-29H,3,12-13H2,1-2H3;3-12,15,30-31H,2,13-14H2,1H3;4-11,14-15,28-29H,3,12-13H2,1-2H3.

What are the key properties of (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone?

(5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 1910.66 g/mol, XLogP of 25.52, 36 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-2-methylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;(2,4-dimethylphenyl)-[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(5-fluoro-2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 157130245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).