N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide

C23H27N3O3S — CID 92666028

About N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide

N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide (PubChem CID 92666028) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
• PubChem CID: 92666028
• Molecular Formula: C23H27N3O3S
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.18
• IUPAC Name: N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
• SMILES: COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccco2)CC1
• InChI: InChI=1S/C23H27N3O3S/c1-17(24-23(27)20-9-5-15-29-20)22(21-10-6-16-30-21)26-13-11-25(12-14-26)18-7-3-4-8-19(18)28-2/h3-10,15-17,22H,11-14H2,1-2H3,(H,24,27)/t17-,22+/m1/s1
• InChIKey: MZLRVIBSEQHNCE-VGSWGCGISA-N
• XLogP: 4.03
• TPSA: 57.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide (CID 92666028) is N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide is COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccco2)CC1.

What is the InChIKey of N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?

The InChIKey is MZLRVIBSEQHNCE-VGSWGCGISA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17(24-23(27)20-9-5-15-29-20)22(21-10-6-16-30-21)26-13-11-25(12-14-26)18-7-3-4-8-19(18)28-2/h3-10,15-17,22H,11-14H2,1-2H3,(H,24,27)/t17-,22+/m1/s1.

What are the key properties of N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?

N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 92666028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).