N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

C24H26F2N2O3S — CID 93479088

About N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93479088) has the molecular formula C24H26F2N2O3S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479088
• Molecular Formula: C24H26F2N2O3S
• Molecular Weight: 460.55 g/mol
• Exact Mass: 460.16
• IUPAC Name: N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc([C@H](c2ccc(OC(F)F)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C24H26F2N2O3S/c1-2-18-15-19(23(32-18)27-22(29)20-7-6-14-30-20)21(28-12-4-3-5-13-28)16-8-10-17(11-9-16)31-24(25)26/h6-11,14-15,21,24H,2-5,12-13H2,1H3,(H,27,29)/t21-/m0/s1
• InChIKey: HQXJOYOEFRJYSU-NRFANRHFSA-N
• XLogP: 6.33
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.55
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 93479088) is N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc([C@H](c2ccc(OC(F)F)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

The InChIKey is HQXJOYOEFRJYSU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26F2N2O3S/c1-2-18-15-19(23(32-18)27-22(29)20-7-6-14-30-20)21(28-12-4-3-5-13-28)16-8-10-17(11-9-16)31-24(25)26/h6-11,14-15,21,24H,2-5,12-13H2,1H3,(H,27,29)/t21-/m0/s1.

What are the key properties of N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).