N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide

C24H25F3N4O6S — CID 10053382

About N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide

N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 10053382) has the molecular formula C24H25F3N4O6S and a molecular weight of 554.55 g/mol. Its IUPAC name is N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide
• PubChem CID: 10053382
• Molecular Formula: C24H25F3N4O6S
• Molecular Weight: 554.55 g/mol
• Exact Mass: 554.14
• IUPAC Name: N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide
• SMILES: CCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
• InChI: InChI=1S/C24H25F3N4O6S/c1-2-5-17(29-22(33)15-7-9-16(10-8-15)37-24(25,26)27)23(34)30-13-11-18-21(30)19(32)14-31(18)38(35,36)20-6-3-4-12-28-20/h3-4,6-10,12,17-18,21H,2,5,11,13-14H2,1H3,(H,29,33)
• InChIKey: GNNWCQPAHWVUTP-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 125.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.55
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide?

The IUPAC name of N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide (CID 10053382) is N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide is CCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1.

What is the InChIKey of N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide?

The InChIKey is GNNWCQPAHWVUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O6S/c1-2-5-17(29-22(33)15-7-9-16(10-8-15)37-24(25,26)27)23(34)30-13-11-18-21(30)19(32)14-31(18)38(35,36)20-6-3-4-12-28-20/h3-4,6-10,12,17-18,21H,2,5,11,13-14H2,1H3,(H,29,33).

What are the key properties of N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide?

N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 554.55 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 10053382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).