5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide

C24H27F4NO4S — CID 86703575

IUPAC5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F
InChIInChI=1S/C24H27F4NO4S/c25-18-6-19(16(14-1-2-14)5-17(18)20(30)29-34(31,32)15-3-4-15)33-13-21-7-22(26)10-23(27,8-21)12-24(28,9-21)11-22/h5-6,14-15H,1-4,7-13H2,(H,29,30)
InChIKeyIFRGFTQIIMWCJG-UHFFFAOYSA-N
MW501.54 g/mol
LogP4.80
Rot. Bonds7

About 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide

5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide (PubChem CID 86703575) has the molecular formula C24H27F4NO4S and a molecular weight of 501.54 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide
PubChem CID86703575
Molecular FormulaC24H27F4NO4S
Molecular Weight501.54 g/mol
Exact Mass501.16
IUPAC Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F
InChIInChI=1S/C24H27F4NO4S/c25-18-6-19(16(14-1-2-14)5-17(18)20(30)29-34(31,32)15-3-4-15)33-13-21-7-22(26)10-23(27,8-21)12-24(28,9-21)11-22/h5-6,14-15H,1-4,7-13H2,(H,29,30)
InChIKeyIFRGFTQIIMWCJG-UHFFFAOYSA-N
XLogP4.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide?
The IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide (CID 86703575) is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide.
What is the SMILES notation for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide?
The canonical SMILES for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide is O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F.
What is the InChIKey of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide?
The InChIKey is IFRGFTQIIMWCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4NO4S/c25-18-6-19(16(14-1-2-14)5-17(18)20(30)29-34(31,32)15-3-4-15)33-13-21-7-22(26)10-23(27,8-21)12-24(28,9-21)11-22/h5-6,14-15H,1-4,7-13H2,(H,29,30).
What are the key properties of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide?
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide has a molecular weight of 501.54 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(3,5,7-trifluoro-1-adamantyl)methoxy]benzamide is sourced from PubChem (CID 86703575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).