3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide

C26H40F2N2O3S — CID 144848089

IUPAC3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide
SMILESCCC1C2CN(CCCC3(OC)CCC(F)(F)CC3)CC12.O=S(=O)(Nc1ccccc1)C1CC1
InChIInChI=1S/C17H29F2NO.C9H11NO2S/c1-3-13-14-11-20(12-15(13)14)10-4-5-16(21-2)6-8-17(18,19)9-7-16;11-13(12,9-6-7-9)10-8-4-2-1-3-5-8/h13-15H,3-12H2,1-2H3;1-5,9-10H,6-7H2
InChIKeyKFHORZUYXGVERB-UHFFFAOYSA-N
MW498.68 g/mol
LogP5.54
Rot. Bonds9

About 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide

3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide (PubChem CID 144848089) has the molecular formula C26H40F2N2O3S and a molecular weight of 498.68 g/mol. Its IUPAC name is 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide.

Molecular Properties

Compound Name3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide
PubChem CID144848089
Molecular FormulaC26H40F2N2O3S
Molecular Weight498.68 g/mol
Exact Mass498.27
IUPAC Name3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide
SMILESCCC1C2CN(CCCC3(OC)CCC(F)(F)CC3)CC12.O=S(=O)(Nc1ccccc1)C1CC1
InChIInChI=1S/C17H29F2NO.C9H11NO2S/c1-3-13-14-11-20(12-15(13)14)10-4-5-16(21-2)6-8-17(18,19)9-7-16;11-13(12,9-6-7-9)10-8-4-2-1-3-5-8/h13-15H,3-12H2,1-2H3;1-5,9-10H,6-7H2
InChIKeyKFHORZUYXGVERB-UHFFFAOYSA-N
XLogP5.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.68
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[3-[3-(1-ethoxy-4,4-difluorocyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 140742796
2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide
CID 144848100
1-(3-methoxypropyl)-N-phenylazetidine-3-sulfonamide
CID 122143722
N-[3-[(5S)-3-[3-(4,4-difluorocyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 134360664
N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide
CID 140742783
N-[3-[(1R,5S)-3-[3-(3,3-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride
CID 122552775
N-[3-[(1R,5S)-6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 122552741
N-[3-[6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide;hydrochloride
CID 140742828
N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride
CID 140742799
N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide
CID 122148046
N-[3-[(1R,5R,6R)-1-amino-6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 146924970
N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
CID 64553467

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide?
The IUPAC name of 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide (CID 144848089) is 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide.
What is the SMILES notation for 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide?
The canonical SMILES for 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide is CCC1C2CN(CCCC3(OC)CCC(F)(F)CC3)CC12.O=S(=O)(Nc1ccccc1)C1CC1.
What is the InChIKey of 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide?
The InChIKey is KFHORZUYXGVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2NO.C9H11NO2S/c1-3-13-14-11-20(12-15(13)14)10-4-5-16(21-2)6-8-17(18,19)9-7-16;11-13(12,9-6-7-9)10-8-4-2-1-3-5-8/h13-15H,3-12H2,1-2H3;1-5,9-10H,6-7H2.
What are the key properties of 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide?
3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide has a molecular weight of 498.68 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide is sourced from PubChem (CID 144848089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).