4-(difluoromethoxy)-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]benzamide

C24H26F2N4O6S — CID 10007356

IUPAC4-(difluoromethoxy)-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]benzamide
SMILESCCCC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H26F2N4O6S/c1-2-5-17(28-22(32)15-7-9-16(10-8-15)36-24(25)26)23(33)29-13-11-18-21(29)19(31)14-30(18)37(34,35)20-6-3-4-12-27-20/h3-4,6-10,12,17-18,21,24H,2,5,11,13-14H2,1H3,(H,28,32)
InChIKeyKJRLFGBVDKXZCX-UHFFFAOYSA-N
MW536.56 g/mol
LogP1.82
Rot. Bonds9

About 4-(difluoromethoxy)-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]benzamide

4-(difluoromethoxy)-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]benzamide (PubChem CID 10007356) has the molecular formula C24H26F2N4O6S and a molecular weight of 536.56 g/mol. Its IUPAC name is 4-(difluoromethoxy)-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]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-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]benzamide
PubChem CID10007356
Molecular FormulaC24H26F2N4O6S
Molecular Weight536.56 g/mol
Exact Mass536.15
IUPAC Name4-(difluoromethoxy)-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]benzamide
SMILESCCCC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H26F2N4O6S/c1-2-5-17(28-22(32)15-7-9-16(10-8-15)36-24(25)26)23(33)29-13-11-18-21(29)19(31)14-30(18)37(34,35)20-6-3-4-12-27-20/h3-4,6-10,12,17-18,21,24H,2,5,11,13-14H2,1H3,(H,28,32)
InChIKeyKJRLFGBVDKXZCX-UHFFFAOYSA-N
XLogP1.82
TPSA125.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.56
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(difluoromethoxy)-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]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-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]benzamide?
The IUPAC name of 4-(difluoromethoxy)-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]benzamide (CID 10007356) is 4-(difluoromethoxy)-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]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-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]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-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]benzamide is CCCC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1.
What is the InChIKey of 4-(difluoromethoxy)-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]benzamide?
The InChIKey is KJRLFGBVDKXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O6S/c1-2-5-17(28-22(32)15-7-9-16(10-8-15)36-24(25)26)23(33)29-13-11-18-21(29)19(31)14-30(18)37(34,35)20-6-3-4-12-27-20/h3-4,6-10,12,17-18,21,24H,2,5,11,13-14H2,1H3,(H,28,32).
What are the key properties of 4-(difluoromethoxy)-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]benzamide?
4-(difluoromethoxy)-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]benzamide has a molecular weight of 536.56 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-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]benzamide is sourced from PubChem (CID 10007356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).