N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

C24H26F2N2O3S — CID 46740194

About N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 46740194) has the molecular formula C24H26F2N2O3S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 46740194
• Molecular Formula: C24H26F2N2O3S
• Molecular Weight: 460.55 g/mol
• Exact Mass: 460.16
• IUPAC Name: N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(C(c2ccc(OC(F)F)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C24H26F2N2O3S/c1-15-9-11-28(12-10-15)21(17-5-7-18(8-6-17)31-24(25)26)19-14-16(2)32-23(19)27-22(29)20-4-3-13-30-20/h3-8,13-15,21,24H,9-12H2,1-2H3,(H,27,29)
• InChIKey: VQYMOVCNULBOEH-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.55
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (CID 46740194) is N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(C(c2ccc(OC(F)F)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The InChIKey is VQYMOVCNULBOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O3S/c1-15-9-11-28(12-10-15)21(17-5-7-18(8-6-17)31-24(25)26)19-14-16(2)32-23(19)27-22(29)20-4-3-13-30-20/h3-8,13-15,21,24H,9-12H2,1-2H3,(H,27,29).

What are the key properties of N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).