(6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

C107H109Cl2N7O13S6 — CID 159295819

About (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

(6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 159295819) has the molecular formula C107H109Cl2N7O13S6 and a molecular weight of 1964.39 g/mol. Its IUPAC name is (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

• Compound Name: (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
• PubChem CID: 159295819
• Molecular Formula: C107H109Cl2N7O13S6
• Molecular Weight: 1964.39 g/mol
• Exact Mass: 1961.58
• IUPAC Name: (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
• SMILES: COc1ccc(C(=O)c2cc3cc(C)n(CCC4CCOCC4)c3s2)cc1.COc1ccc(C(=O)c2cc3cc(C)n(CCCCl)c3s2)c(Cl)c1.COc1ccc(C(=O)c2cc3cc(C)n(CCCNS(=O)(=O)c4ccccc4)c3s2)cc1.COc1ccc(C(=O)c2cc3cc(C)n(CCN4CCCC4)c3s2)cc1.COc1ccc(C(=O)c2cc3cc(C)n(Cc4ccccc4)c3s2)cc1
• InChI: InChI=1S/C24H24N2O4S2.C22H25NO3S.C22H19NO2S.C21H24N2O2S.C18H17Cl2NO2S/c1-17-15-19-16-22(23(27)18-9-11-20(30-2)12-10-18)31-24(19)26(17)14-6-13-25-32(28,29)21-7-4-3-5-8-21;1-15-13-18-14-20(21(24)17-3-5-19(25-2)6-4-17)27-22(18)23(15)10-7-16-8-11-26-12-9-16;1-15-12-18-13-20(21(24)17-8-10-19(25-2)11-9-17)26-22(18)23(15)14-16-6-4-3-5-7-16;1-15-13-17-14-19(20(24)16-5-7-18(25-2)8-6-16)26-21(17)23(15)12-11-22-9-3-4-10-22;1-11-8-12-9-16(24-18(12)21(11)7-3-6-19)17(22)14-5-4-13(23-2)10-15(14)20/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3;3-6,13-14,16H,7-12H2,1-2H3;3-13H,14H2,1-2H3;5-8,13-14H,3-4,9-12H2,1-2H3;4-5,8-10H,3,6-7H2,1-2H3
• InChIKey: LARXVWOPJQNBKX-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 214.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.39
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?

The IUPAC name of (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (CID 159295819) is (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.

What is the SMILES notation for (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?

The canonical SMILES for (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is COc1ccc(C(=O)c2cc3cc(C)n(CCC4CCOCC4)c3s2)cc1.COc1ccc(C(=O)c2cc3cc(C)n(CCCCl)c3s2)c(Cl)c1.COc1ccc(C(=O)c2cc3cc(C)n(CCCNS(=O)(=O)c4ccccc4)c3s2)cc1.COc1ccc(C(=O)c2cc3cc(C)n(CCN4CCCC4)c3s2)cc1.COc1ccc(C(=O)c2cc3cc(C)n(Cc4ccccc4)c3s2)cc1.

What is the InChIKey of (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?

The InChIKey is LARXVWOPJQNBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2.C22H25NO3S.C22H19NO2S.C21H24N2O2S.C18H17Cl2NO2S/c1-17-15-19-16-22(23(27)18-9-11-20(30-2)12-10-18)31-24(19)26(17)14-6-13-25-32(28,29)21-7-4-3-5-8-21;1-15-13-18-14-20(21(24)17-3-5-19(25-2)6-4-17)27-22(18)23(15)10-7-16-8-11-26-12-9-16;1-15-12-18-13-20(21(24)17-8-10-19(25-2)11-9-17)26-22(18)23(15)14-16-6-4-3-5-7-16;1-15-13-17-14-19(20(24)16-5-7-18(25-2)8-6-16)26-21(17)23(15)12-11-22-9-3-4-10-22;1-11-8-12-9-16(24-18(12)21(11)7-3-6-19)17(22)14-5-4-13(23-2)10-15(14)20/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3;3-6,13-14,16H,7-12H2,1-2H3;3-13H,14H2,1-2H3;5-8,13-14H,3-4,9-12H2,1-2H3;4-5,8-10H,3,6-7H2,1-2H3.

What are the key properties of (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?

(6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 1964.39 g/mol, XLogP of 24.87, 32 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 159295819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).