N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide

C20H24F3N5O2S — CID 58557548

IUPACN-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
SMILESCC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1c1nc(CC(F)(F)F)c2cnc3[nH]ccc3n12
InChIInChI=1S/C20H24F3N5O2S/c1-2-11-7-12(27-31(29,30)13-3-4-13)8-14(11)19-26-15(9-20(21,22)23)17-10-25-18-16(28(17)19)5-6-24-18/h5-6,10-14,24,27H,2-4,7-9H2,1H3/t11-,12+,14+/m1/s1
InChIKeyDGPXKMNYONDQRK-DYEKYZERSA-N
MW455.51 g/mol
LogP3.67
Rot. Bonds6

About N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide

N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide (PubChem CID 58557548) has the molecular formula C20H24F3N5O2S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
PubChem CID58557548
Molecular FormulaC20H24F3N5O2S
Molecular Weight455.51 g/mol
Exact Mass455.16
IUPAC NameN-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
SMILESCC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1c1nc(CC(F)(F)F)c2cnc3[nH]ccc3n12
InChIInChI=1S/C20H24F3N5O2S/c1-2-11-7-12(27-31(29,30)13-3-4-13)8-14(11)19-26-15(9-20(21,22)23)17-10-25-18-16(28(17)19)5-6-24-18/h5-6,10-14,24,27H,2-4,7-9H2,1H3/t11-,12+,14+/m1/s1
InChIKeyDGPXKMNYONDQRK-DYEKYZERSA-N
XLogP3.67
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide 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-[(1S,3R,4S)-3-ethyl-4-[8-(2-methylphenyl)sulfonyl-10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
CID 156769533
N-[(3R)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-3,3-difluoroazetidine-1-sulfonamide
CID 162569422
N-[(3S,5R)-5-ethyl-1-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
CID 67998554
1-(2,2-dichlorocyclopropyl)-N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methanesulfonamide
CID 137072840
(NZ)-N-[[(3R,4S)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methylidene]-3,3,3-trifluoropropane-1-sulfonamide
CID 129131155
ethyl 2-[(3R,4S)-3-ethyl-4-[10-(trifluoromethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]acetate
CID 129131185
(3R,4S)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxylic acid;2,2,2-trifluoroethanamine
CID 171928876
N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide
CID 137090050
propan-2-yl N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]carbamate
CID 137143300
5-[[(1R,3S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]amino]pyrazine-2-carbonitrile;5-[[(1S,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]amino]pyrazine-2-carbonitrile
CID 158359538
12-(4-ethyl-1-methylpyrrolidin-3-yl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 129131151
3-fluoro-N-[(3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]propane-1-sulfonamide
CID 163645014

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide (CID 58557548) is N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide is CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1c1nc(CC(F)(F)F)c2cnc3[nH]ccc3n12.
What is the InChIKey of N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
The InChIKey is DGPXKMNYONDQRK-DYEKYZERSA-N. The full InChI is InChI=1S/C20H24F3N5O2S/c1-2-11-7-12(27-31(29,30)13-3-4-13)8-14(11)19-26-15(9-20(21,22)23)17-10-25-18-16(28(17)19)5-6-24-18/h5-6,10-14,24,27H,2-4,7-9H2,1H3/t11-,12+,14+/m1/s1.
What are the key properties of N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide has a molecular weight of 455.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R,4S)-3-ethyl-4-[10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide is sourced from PubChem (CID 58557548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).