N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide

C24H28FN3O2S — CID 93479499

About N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93479499) has the molecular formula C24H28FN3O2S and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479499
• Molecular Formula: C24H28FN3O2S
• Molecular Weight: 441.57 g/mol
• Exact Mass: 441.19
• IUPAC Name: N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc([C@@H](c2ccc(F)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C24H28FN3O2S/c1-3-19-16-20(24(31-19)26-23(29)21-6-5-15-30-21)22(17-7-9-18(25)10-8-17)28-13-11-27(4-2)12-14-28/h5-10,15-16,22H,3-4,11-14H2,1-2H3,(H,26,29)/t22-/m1/s1
• InChIKey: VVDUAOVRAGSMMD-JOCHJYFZSA-N
• XLogP: 5.02
• TPSA: 48.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.57
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 93479499) is N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide is CCc1cc([C@@H](c2ccc(F)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is VVDUAOVRAGSMMD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28FN3O2S/c1-3-19-16-20(24(31-19)26-23(29)21-6-5-15-30-21)22(17-7-9-18(25)10-8-17)28-13-11-27(4-2)12-14-28/h5-10,15-16,22H,3-4,11-14H2,1-2H3,(H,26,29)/t22-/m1/s1.

What are the key properties of N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).