2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

C50H51N5O10S2 — CID 162056899

About 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (PubChem CID 162056899) has the molecular formula C50H51N5O10S2 and a molecular weight of 946.12 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
• PubChem CID: 162056899
• Molecular Formula: C50H51N5O10S2
• Molecular Weight: 946.12 g/mol
• Exact Mass: 945.31
• IUPAC Name: 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)c1ccc(C(=O)C(=O)NCCc2scc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.CC1(c2ccc(C(=O)C(=O)CCc3scc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1
• InChI: InChI=1S/C25H27N3O5S.C25H24N2O5S/c1-25(2,3)15-6-4-14(5-7-15)21(30)23(32)26-11-10-19-16-12-28(24(33)17(16)13-34-19)18-8-9-20(29)27-22(18)31;1-25(10-11-25)15-4-2-14(3-5-15)22(30)19(28)7-8-20-16-12-27(24(32)17(16)13-33-20)18-6-9-21(29)26-23(18)31/h4-7,13,18H,8-12H2,1-3H3,(H,26,32)(H,27,29,31);2-5,13,18H,6-12H2,1H3,(H,26,29,31)
• InChIKey: YZHPENADFPARNR-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 213.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	946.12
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?

The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (CID 162056899) is 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.

What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?

The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is CC(C)(C)c1ccc(C(=O)C(=O)NCCc2scc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.CC1(c2ccc(C(=O)C(=O)CCc3scc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.

What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?

The InChIKey is YZHPENADFPARNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S.C25H24N2O5S/c1-25(2,3)15-6-4-14(5-7-15)21(30)23(32)26-11-10-19-16-12-28(24(33)17(16)13-34-19)18-8-9-20(29)27-22(18)31;1-25(10-11-25)15-4-2-14(3-5-15)22(30)19(28)7-8-20-16-12-27(24(32)17(16)13-33-20)18-6-9-21(29)26-23(18)31/h4-7,13,18H,8-12H2,1-3H3,(H,26,32)(H,27,29,31);2-5,13,18H,6-12H2,1H3,(H,26,29,31).

What are the key properties of 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?

2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione has a molecular weight of 946.12 g/mol, XLogP of 5.29, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 162056899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).