5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide

C26H32N4O3S — CID 86342265

About 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide

5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide (PubChem CID 86342265) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
• PubChem CID: 86342265
• Molecular Formula: C26H32N4O3S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.22
• IUPAC Name: 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
• SMILES: CC(=O)c1ccc(C(=O)NC2CCC(CCN3CCN(c4nsc5ccccc45)CC3)CC2)o1
• InChI: InChI=1S/C26H32N4O3S/c1-18(31)22-10-11-23(33-22)26(32)27-20-8-6-19(7-9-20)12-13-29-14-16-30(17-15-29)25-21-4-2-3-5-24(21)34-28-25/h2-5,10-11,19-20H,6-9,12-17H2,1H3,(H,27,32)
• InChIKey: VQHDFSMAHHFXEB-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

The IUPAC name of 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide (CID 86342265) is 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide.

What is the SMILES notation for 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

The canonical SMILES for 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide is CC(=O)c1ccc(C(=O)NC2CCC(CCN3CCN(c4nsc5ccccc45)CC3)CC2)o1.

What is the InChIKey of 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

The InChIKey is VQHDFSMAHHFXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-18(31)22-10-11-23(33-22)26(32)27-20-8-6-19(7-9-20)12-13-29-14-16-30(17-15-29)25-21-4-2-3-5-24(21)34-28-25/h2-5,10-11,19-20H,6-9,12-17H2,1H3,(H,27,32).

What are the key properties of 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 86342265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).