N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide

C81H94N10O27S8 — CID 158577947

About N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide

N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide (PubChem CID 158577947) has the molecular formula C81H94N10O27S8 and a molecular weight of 1896.22 g/mol. Its IUPAC name is N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide
• PubChem CID: 158577947
• Molecular Formula: C81H94N10O27S8
• Molecular Weight: 1896.22 g/mol
• Exact Mass: 1894.41
• IUPAC Name: N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide
• SMILES: CC(=O)Nc1scc2c1C(=O)N([C@@H](CS(=O)(=O)N(C)C)c1ccc3c(c1)OCO3)C2=O.CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3c(NC(=O)COC)csc3C2=O)ccc1OC.CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3c(NC(C)=O)csc3C2=O)ccc1OC.CCOc1cc([C@H](CS(=O)(=O)N(C)C)N2C(=O)c3csc(NC(C)=O)c3C2=O)ccc1OC
• InChI: InChI=1S/C21H25N3O7S2.C21H26N2O7S2.C20H24N2O6S2.C19H19N3O7S2/c1-6-31-17-9-13(7-8-16(17)30-5)15(11-33(28,29)23(3)4)24-20(26)14-10-32-19(22-12(2)25)18(14)21(24)27;1-5-30-18-8-13(6-7-17(18)29-3)16(12-32(4,26)27)23-9-14-15(22-19(24)10-28-2)11-31-20(14)21(23)25;1-5-28-18-8-13(6-7-17(18)27-3)16(11-30(4,25)26)22-9-14-15(21-12(2)23)10-29-19(14)20(22)24;1-10(23)20-17-16-12(7-30-17)18(24)22(19(16)25)13(8-31(26,27)21(2)3)11-4-5-14-15(6-11)29-9-28-14/h7-10,15H,6,11H2,1-5H3,(H,22,25);6-8,11,16H,5,9-10,12H2,1-4H3,(H,22,24);6-8,10,16H,5,9,11H2,1-4H3,(H,21,23);4-7,13H,8-9H2,1-3H3,(H,20,23)/t15-;2*16-;13-/m0110/s1
• InChIKey: HSWVZLSPPJEALV-AETUOSGASA-N
• XLogP: 9.34
• TPSA: 457.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1896.22
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide?

The IUPAC name of N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide (CID 158577947) is N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide.

What is the SMILES notation for N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide?

The canonical SMILES for N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide is CC(=O)Nc1scc2c1C(=O)N([C@@H](CS(=O)(=O)N(C)C)c1ccc3c(c1)OCO3)C2=O.CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3c(NC(=O)COC)csc3C2=O)ccc1OC.CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3c(NC(C)=O)csc3C2=O)ccc1OC.CCOc1cc([C@H](CS(=O)(=O)N(C)C)N2C(=O)c3csc(NC(C)=O)c3C2=O)ccc1OC.

What is the InChIKey of N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide?

The InChIKey is HSWVZLSPPJEALV-AETUOSGASA-N. The full InChI is InChI=1S/C21H25N3O7S2.C21H26N2O7S2.C20H24N2O6S2.C19H19N3O7S2/c1-6-31-17-9-13(7-8-16(17)30-5)15(11-33(28,29)23(3)4)24-20(26)14-10-32-19(22-12(2)25)18(14)21(24)27;1-5-30-18-8-13(6-7-17(18)29-3)16(12-32(4,26)27)23-9-14-15(22-19(24)10-28-2)11-31-20(14)21(23)25;1-5-28-18-8-13(6-7-17(18)27-3)16(11-30(4,25)26)22-9-14-15(21-12(2)23)10-29-19(14)20(22)24;1-10(23)20-17-16-12(7-30-17)18(24)22(19(16)25)13(8-31(26,27)21(2)3)11-4-5-14-15(6-11)29-9-28-14/h7-10,15H,6,11H2,1-5H3,(H,22,25);6-8,11,16H,5,9-10,12H2,1-4H3,(H,22,24);6-8,10,16H,5,9,11H2,1-4H3,(H,21,23);4-7,13H,8-9H2,1-3H3,(H,20,23)/t15-;2*16-;13-/m0110/s1.

What are the key properties of N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide?

N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide has a molecular weight of 1896.22 g/mol, XLogP of 9.34, 33 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(dimethylsulfamoyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1R)-2-(dimethylsulfamoyl)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]acetamide;N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 158577947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).