5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide

C25H24ClFN4O5S — CID 175655301

About 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 175655301) has the molecular formula C25H24ClFN4O5S and a molecular weight of 547.01 g/mol. Its IUPAC name is 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 175655301
• Molecular Formula: C25H24ClFN4O5S
• Molecular Weight: 547.01 g/mol
• Exact Mass: 546.11
• IUPAC Name: 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide
• SMILES: CC1(CNC(=O)c2ccc(Cl)s2)CCN(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C25H24ClFN4O5S/c1-25(12-28-22(34)18-3-4-19(26)37-18)6-8-30(9-7-25)17-11-14-13(10-15(17)27)23(35)31(24(14)36)16-2-5-20(32)29-21(16)33/h3-4,10-11,16H,2,5-9,12H2,1H3,(H,28,34)(H,29,32,33)
• InChIKey: YKZBBPSBQCZUBV-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.01
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide (CID 175655301) is 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide is CC1(CNC(=O)c2ccc(Cl)s2)CCN(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide?

The InChIKey is YKZBBPSBQCZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O5S/c1-25(12-28-22(34)18-3-4-19(26)37-18)6-8-30(9-7-25)17-11-14-13(10-15(17)27)23(35)31(24(14)36)16-2-5-20(32)29-21(16)33/h3-4,10-11,16H,2,5-9,12H2,1H3,(H,28,34)(H,29,32,33).

What are the key properties of 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 547.01 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-4-methylpiperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 175655301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).