N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

C₁₃₇H₁₂₈Br₂ClFN₁₀O₂₅S₅ — CID 157467806

About N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 157467806) has the molecular formula C₁₃₇H₁₂₈Br₂ClFN₁₀O₂₅S₅ and a molecular weight of 2689.17 g/mol. Its IUPAC name is N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
• PubChem CID: 157467806
• Molecular Formula: C₁₃₇H₁₂₈Br₂ClFN₁₀O₂₅S₅
• Molecular Weight: 2689.17 g/mol
• Exact Mass: 2684.57
• IUPAC Name: N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
• SMILES: CCc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2c(Br)sc3c(C)cccc23)c1.CCc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2c(C)sc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3c(Cl)sc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OCC3CC3)c(-c3csc4c(F)cccc34)n2)ccc1OCCO.COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3c(Br)sc4c(C)cccc34)n2)cc1OC
• InChI: InChI=1S/C29H27FN2O6S.C28H28N2O4S.C27H25BrN2O4S.C27H25ClN2O6S.C26H23BrN2O5S/c1-36-26-13-18(7-9-24(26)37-12-11-33)29(35)31-14-23(34)22-8-10-25(38-15-17-5-6-17)27(32-22)20-16-39-28-19(20)3-2-4-21(28)30;1-6-18-12-21(23(31)15-29-28(32)19-10-11-24(33-4)25(14-19)34-5)30-22(13-18)26-17(3)35-27-16(2)8-7-9-20(26)27;1-5-16-11-19(21(31)14-29-27(32)17-9-10-22(33-3)23(13-17)34-4)30-20(12-16)24-18-8-6-7-15(2)25(18)35-26(24)28;1-15-5-4-6-17-23(26(28)37-25(15)17)24-21(34-2)10-8-18(30-24)19(32)14-29-27(33)16-7-9-20(36-12-11-31)22(13-16)35-3;1-14-6-5-7-16-22(25(27)35-24(14)16)23-20(33-3)11-9-17(29-23)18(30)13-28-26(31)15-8-10-19(32-2)21(12-15)34-4/h2-4,7-10,13,16-17,33H,5-6,11-12,14-15H2,1H3,(H,31,35);7-14H,6,15H2,1-5H3,(H,29,32);6-13H,5,14H2,1-4H3,(H,29,32);4-10,13,31H,11-12,14H2,1-3H3,(H,29,33);5-12H,13H2,1-4H3,(H,28,31)
• InChIKey: BURLCVOMMGSZLG-UHFFFAOYSA-N
• XLogP: 27.48
• TPSA: 455.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2689.17
LogP ≤ 5	27.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?

The IUPAC name of N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 157467806) is N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

What is the SMILES notation for N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?

The canonical SMILES for N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is CCc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2c(Br)sc3c(C)cccc23)c1.CCc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2c(C)sc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3c(Cl)sc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OCC3CC3)c(-c3csc4c(F)cccc34)n2)ccc1OCCO.COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3c(Br)sc4c(C)cccc34)n2)cc1OC.

What is the InChIKey of N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?

The InChIKey is BURLCVOMMGSZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O6S.C28H28N2O4S.C27H25BrN2O4S.C27H25ClN2O6S.C26H23BrN2O5S/c1-36-26-13-18(7-9-24(26)37-12-11-33)29(35)31-14-23(34)22-8-10-25(38-15-17-5-6-17)27(32-22)20-16-39-28-19(20)3-2-4-21(28)30;1-6-18-12-21(23(31)15-29-28(32)19-10-11-24(33-4)25(14-19)34-5)30-22(13-18)26-17(3)35-27-16(2)8-7-9-20(26)27;1-5-16-11-19(21(31)14-29-27(32)17-9-10-22(33-3)23(13-17)34-4)30-20(12-16)24-18-8-6-7-15(2)25(18)35-26(24)28;1-15-5-4-6-17-23(26(28)37-25(15)17)24-21(34-2)10-8-18(30-24)19(32)14-29-27(33)16-7-9-20(36-12-11-31)22(13-16)35-3;1-14-6-5-7-16-22(25(27)35-24(14)16)23-20(33-3)11-9-17(29-23)18(30)13-28-26(31)15-8-10-19(32-2)21(12-15)34-4/h2-4,7-10,13,16-17,33H,5-6,11-12,14-15H2,1H3,(H,31,35);7-14H,6,15H2,1-5H3,(H,29,32);6-13H,5,14H2,1-4H3,(H,29,32);4-10,13,31H,11-12,14H2,1-3H3,(H,29,33);5-12H,13H2,1-4H3,(H,28,31).

What are the key properties of N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?

N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 2689.17 g/mol, XLogP of 27.48, 46 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[6-(2-chloro-7-methyl-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 157467806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157467806 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.