(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

C143H132Cl3F6N5O20S5 — CID 160853370

About (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone

(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 160853370) has the molecular formula C143H132Cl3F6N5O20S5 and a molecular weight of 2621.33 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
• PubChem CID: 160853370
• Molecular Formula: C143H132Cl3F6N5O20S5
• Molecular Weight: 2621.33 g/mol
• Exact Mass: 2617.70
• IUPAC Name: (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone
• SMILES: C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccc(C(F)(F)F)cc4)sc4cc(O)ccc34)cc2)C1.C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccc(Cl)cc4)sc4cc(O)ccc34)cc2)C1.C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccccc4C(F)(F)F)sc4cc(O)ccc34)cc2)C1.C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccccc4Cl)sc4cc(O)ccc34)cc2)C1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@H](C)C2)cc1
• InChI: InChI=1S/C29H28ClNO4S.2C29H26F3NO4S.2C28H26ClNO4S/c1-18-11-12-31(17-18)13-14-34-22-6-8-23(9-7-22)35-28-24-10-5-21(32)16-26(24)36-29(28)27(33)25-15-20(30)4-3-19(25)2;1-18-12-13-33(17-18)14-15-36-22-7-9-23(10-8-22)37-27-24-11-6-21(34)16-25(24)38-28(27)26(35)19-2-4-20(5-3-19)29(30,31)32;1-18-12-13-33(17-18)14-15-36-20-7-9-21(10-8-20)37-27-23-11-6-19(34)16-25(23)38-28(27)26(35)22-4-2-3-5-24(22)29(30,31)32;1-18-12-13-30(17-18)14-15-33-22-7-9-23(10-8-22)34-27-24-11-6-21(31)16-25(24)35-28(27)26(32)19-2-4-20(29)5-3-19;1-18-12-13-30(17-18)14-15-33-20-7-9-21(10-8-20)34-27-23-11-6-19(31)16-25(23)35-28(27)26(32)22-4-2-3-5-24(22)29/h3-10,15-16,18,32H,11-14,17H2,1-2H3;2*2-11,16,18,34H,12-15,17H2,1H3;2*2-11,16,18,31H,12-15,17H2,1H3/t5*18-/m00000/s1
• InChIKey: SJNZTJZIXRUTFH-JFGUVNKZSA-N
• XLogP: 36.06
• TPSA: 295.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2621.33
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 160853370) is (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

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

The canonical SMILES for (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone is C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccc(C(F)(F)F)cc4)sc4cc(O)ccc34)cc2)C1.C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccc(Cl)cc4)sc4cc(O)ccc34)cc2)C1.C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccccc4C(F)(F)F)sc4cc(O)ccc34)cc2)C1.C[C@H]1CCN(CCOc2ccc(Oc3c(C(=O)c4ccccc4Cl)sc4cc(O)ccc34)cc2)C1.Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@H](C)C2)cc1.

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

The InChIKey is SJNZTJZIXRUTFH-JFGUVNKZSA-N. The full InChI is InChI=1S/C29H28ClNO4S.2C29H26F3NO4S.2C28H26ClNO4S/c1-18-11-12-31(17-18)13-14-34-22-6-8-23(9-7-22)35-28-24-10-5-21(32)16-26(24)36-29(28)27(33)25-15-20(30)4-3-19(25)2;1-18-12-13-33(17-18)14-15-36-22-7-9-23(10-8-22)37-27-24-11-6-21(34)16-25(24)38-28(27)26(35)19-2-4-20(5-3-19)29(30,31)32;1-18-12-13-33(17-18)14-15-36-20-7-9-21(10-8-20)37-27-23-11-6-19(34)16-25(23)38-28(27)26(35)22-4-2-3-5-24(22)29(30,31)32;1-18-12-13-30(17-18)14-15-33-22-7-9-23(10-8-22)34-27-24-11-6-21(31)16-25(24)35-28(27)26(32)19-2-4-20(29)5-3-19;1-18-12-13-30(17-18)14-15-33-20-7-9-21(10-8-20)34-27-23-11-6-19(31)16-25(23)35-28(27)26(32)22-4-2-3-5-24(22)29/h3-10,15-16,18,32H,11-14,17H2,1-2H3;2*2-11,16,18,34H,12-15,17H2,1H3;2*2-11,16,18,31H,12-15,17H2,1H3/t5*18-/m00000/s1.

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

(5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 2621.33 g/mol, XLogP of 36.06, 40 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-2-methylphenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(2-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;(4-chlorophenyl)-[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[2-(trifluoromethyl)phenyl]methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenoxy]-1-benzothiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 160853370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).