(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

C22H25F3N2O4S — CID 59619205

IUPAC(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@H]2OC2CCCC2)CC1
InChIInChI=1S/C22H25F3N2O4S/c23-22(24,25)17-7-3-4-8-19(17)32(29,30)15-11-16(20(28)27-21(13-26)9-10-21)18(12-15)31-14-5-1-2-6-14/h3-4,7-8,14-16,18H,1-2,5-6,9-12H2,(H,27,28)/t15-,16-,18-/m1/s1
InChIKeyFEETXCPVKNSAAZ-JFIYKMOQSA-N
MW470.51 g/mol
LogP3.76
Rot. Bonds6

About (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (PubChem CID 59619205) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
PubChem CID59619205
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC Name(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@H]2OC2CCCC2)CC1
InChIInChI=1S/C22H25F3N2O4S/c23-22(24,25)17-7-3-4-8-19(17)32(29,30)15-11-16(20(28)27-21(13-26)9-10-21)18(12-15)31-14-5-1-2-6-14/h3-4,7-8,14-16,18H,1-2,5-6,9-12H2,(H,27,28)/t15-,16-,18-/m1/s1
InChIKeyFEETXCPVKNSAAZ-JFIYKMOQSA-N
XLogP3.76
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide 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 (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (CID 59619205) is (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@H]2OC2CCCC2)CC1.
What is the InChIKey of (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The InChIKey is FEETXCPVKNSAAZ-JFIYKMOQSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c23-22(24,25)17-7-3-4-8-19(17)32(29,30)15-11-16(20(28)27-21(13-26)9-10-21)18(12-15)31-14-5-1-2-6-14/h3-4,7-8,14-16,18H,1-2,5-6,9-12H2,(H,27,28)/t15-,16-,18-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 59619205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).