N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone

C114H125Cl2N7O11S5 — CID 159688438

About N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone

N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone (PubChem CID 159688438) has the molecular formula C114H125Cl2N7O11S5 and a molecular weight of 2000.53 g/mol. Its IUPAC name is N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 159688438
• Molecular Formula: C114H125Cl2N7O11S5
• Molecular Weight: 2000.53 g/mol
• Exact Mass: 1997.74
• IUPAC Name: N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone
• SMILES: CCc1c(C)nc2sc(C(=O)N3CCCCC3)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)NCc3ccccc3)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccc(Cl)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(Cl)c3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccoc3)c2c1C
• InChI: InChI=1S/C26H26N2O2S.C24H28N2O2S.2C22H24ClNO2S.C20H23NO3S/c1-5-21-16(2)22-23(19-11-13-20(30-4)14-12-19)24(31-26(22)28-17(21)3)25(29)27-15-18-9-7-6-8-10-18;1-5-19-15(2)20-21(17-9-11-18(28-4)12-10-17)22(29-23(20)25-16(19)3)24(27)26-13-7-6-8-14-26;1-7-16-12(2)17-18(14-8-10-15(23)11-9-14)19(21(25)26-22(4,5)6)27-20(17)24-13(16)3;1-7-16-12(2)17-18(14-9-8-10-15(23)11-14)19(21(25)26-22(4,5)6)27-20(17)24-13(16)3;1-7-14-11(2)15-16(13-8-9-23-10-13)17(19(22)24-20(4,5)6)25-18(15)21-12(14)3/h6-14H,5,15H2,1-4H3,(H,27,29);9-12H,5-8,13-14H2,1-4H3;2*8-11H,7H2,1-6H3;8-10H,7H2,1-6H3
• InChIKey: MWCGTQHGBQLNLQ-UHFFFAOYSA-N
• XLogP: 31.05
• TPSA: 224.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2000.53
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone (CID 159688438) is N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone is CCc1c(C)nc2sc(C(=O)N3CCCCC3)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)NCc3ccccc3)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccc(Cl)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(Cl)c3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccoc3)c2c1C.

What is the InChIKey of N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?

The InChIKey is MWCGTQHGBQLNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S.C24H28N2O2S.2C22H24ClNO2S.C20H23NO3S/c1-5-21-16(2)22-23(19-11-13-20(30-4)14-12-19)24(31-26(22)28-17(21)3)25(29)27-15-18-9-7-6-8-10-18;1-5-19-15(2)20-21(17-9-11-18(28-4)12-10-17)22(29-23(20)25-16(19)3)24(27)26-13-7-6-8-14-26;1-7-16-12(2)17-18(14-8-10-15(23)11-9-14)19(21(25)26-22(4,5)6)27-20(17)24-13(16)3;1-7-16-12(2)17-18(14-9-8-10-15(23)11-14)19(21(25)26-22(4,5)6)27-20(17)24-13(16)3;1-7-14-11(2)15-16(13-8-9-23-10-13)17(19(22)24-20(4,5)6)25-18(15)21-12(14)3/h6-14H,5,15H2,1-4H3,(H,27,29);9-12H,5-8,13-14H2,1-4H3;2*8-11H,7H2,1-6H3;8-10H,7H2,1-6H3.

What are the key properties of N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?

N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2000.53 g/mol, XLogP of 31.05, 19 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(4-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(furan-3-yl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;[5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159688438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).