N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C32H27F9N2O5S — CID 118220834

About N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 118220834) has the molecular formula C32H27F9N2O5S and a molecular weight of 722.63 g/mol. Its IUPAC name is N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 118220834
• Molecular Formula: C32H27F9N2O5S
• Molecular Weight: 722.63 g/mol
• Exact Mass: 722.15
• IUPAC Name: N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
• SMILES: CN1CC(C(=O)NC2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1=O
• InChI: InChI=1S/C32H27F9N2O5S/c1-43-16-18(13-27(43)44)28(45)42-22-14-29(15-22,49(46,47)23-11-9-21(33)10-12-23)19-5-7-20(8-6-19)30(31(36,37)38,32(39,40)41)48-17-24-25(34)3-2-4-26(24)35/h2-12,18,22H,13-17H2,1H3,(H,42,45)
• InChIKey: ZCJRNFBUGUHURF-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.63
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 118220834) is N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1=O.

What is the InChIKey of N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?

The InChIKey is ZCJRNFBUGUHURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F9N2O5S/c1-43-16-18(13-27(43)44)28(45)42-22-14-29(15-22,49(46,47)23-11-9-21(33)10-12-23)19-5-7-20(8-6-19)30(31(36,37)38,32(39,40)41)48-17-24-25(34)3-2-4-26(24)35/h2-12,18,22H,13-17H2,1H3,(H,42,45).

What are the key properties of N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?

N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 722.63 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylcyclobutyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 118220834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).