(2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide

C28H27F3N4O6S — CID 155295206

About (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 155295206) has the molecular formula C28H27F3N4O6S and a molecular weight of 604.61 g/mol. Its IUPAC name is (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide
• PubChem CID: 155295206
• Molecular Formula: C28H27F3N4O6S
• Molecular Weight: 604.61 g/mol
• Exact Mass: 604.16
• IUPAC Name: (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide
• SMILES: CC(C)N1C(=O)C(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)=CC(c2ccc(C(F)(F)F)cc2)C1=O
• InChI: InChI=1S/C28H27F3N4O6S/c1-16(2)35-26(37)19(12-21(27(35)38)17-5-7-20(8-6-17)28(29,30)31)15-33-25(36)22-4-3-11-34(22)42(39,40)24-13-18-14-32-10-9-23(18)41-24/h5-10,12-14,16,21-22H,3-4,11,15H2,1-2H3,(H,33,36)/t21?,22-/m0/s1
• InChIKey: WAZNEQRWKNTWPH-KEKNWZKVSA-N
• XLogP: 3.60
• TPSA: 129.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.61
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide (CID 155295206) is (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide is CC(C)N1C(=O)C(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)=CC(c2ccc(C(F)(F)F)cc2)C1=O.

What is the InChIKey of (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide?

The InChIKey is WAZNEQRWKNTWPH-KEKNWZKVSA-N. The full InChI is InChI=1S/C28H27F3N4O6S/c1-16(2)35-26(37)19(12-21(27(35)38)17-5-7-20(8-6-17)28(29,30)31)15-33-25(36)22-4-3-11-34(22)42(39,40)24-13-18-14-32-10-9-23(18)41-24/h5-10,12-14,16,21-22H,3-4,11,15H2,1-2H3,(H,33,36)/t21?,22-/m0/s1.

What are the key properties of (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide?

(2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 604.61 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[2,6-dioxo-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-3H-pyridin-5-yl]methyl]-1-furo[3,2-c]pyridin-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155295206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).