N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C21H27F3N2O3S — CID 71796744

IUPACN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(CN2CCC(CNS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H27F3N2O3S/c1-15-11-19(16(2)29-15)13-26-9-7-17(8-10-26)12-25-30(27,28)14-18-3-5-20(6-4-18)21(22,23)24/h3-6,11,17,25H,7-10,12-14H2,1-2H3
InChIKeyUPKSKNDOCLZSKY-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.25
Rot. Bonds7

About N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796744) has the molecular formula C21H27F3N2O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796744
Molecular FormulaC21H27F3N2O3S
Molecular Weight444.52 g/mol
Exact Mass444.17
IUPAC NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(CN2CCC(CNS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H27F3N2O3S/c1-15-11-19(16(2)29-15)13-26-9-7-17(8-10-26)12-25-30(27,28)14-18-3-5-20(6-4-18)21(22,23)24/h3-6,11,17,25H,7-10,12-14H2,1-2H3
InChIKeyUPKSKNDOCLZSKY-UHFFFAOYSA-N
XLogP4.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide 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 N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796744) is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is Cc1cc(CN2CCC(CNS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c(C)o1.
What is the InChIKey of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is UPKSKNDOCLZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O3S/c1-15-11-19(16(2)29-15)13-26-9-7-17(8-10-26)12-25-30(27,28)14-18-3-5-20(6-4-18)21(22,23)24/h3-6,11,17,25H,7-10,12-14H2,1-2H3.
What are the key properties of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 444.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).