7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide

C24H28FN3O3S — CID 176933384

About 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide

7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 176933384) has the molecular formula C24H28FN3O3S and a molecular weight of 457.57 g/mol. Its IUPAC name is 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 176933384
• Molecular Formula: C24H28FN3O3S
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.18
• IUPAC Name: 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide
• SMILES: CCc1cc(C2CCCN(C(=O)CCc3nccs3)C2)c(F)c2cc(C(=O)N(C)C)oc12
• InChI: InChI=1S/C24H28FN3O3S/c1-4-15-12-17(22(25)18-13-19(31-23(15)18)24(30)27(2)3)16-6-5-10-28(14-16)21(29)8-7-20-26-9-11-32-20/h9,11-13,16H,4-8,10,14H2,1-3H3
• InChIKey: BZUGUQDXULRJQZ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 66.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide (CID 176933384) is 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide is CCc1cc(C2CCCN(C(=O)CCc3nccs3)C2)c(F)c2cc(C(=O)N(C)C)oc12.

What is the InChIKey of 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide?

The InChIKey is BZUGUQDXULRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S/c1-4-15-12-17(22(25)18-13-19(31-23(15)18)24(30)27(2)3)16-6-5-10-28(14-16)21(29)8-7-20-26-9-11-32-20/h9,11-13,16H,4-8,10,14H2,1-3H3.

What are the key properties of 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide?

7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176933384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).