N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide

C24H28N4O2S — CID 170345329

IUPACN-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3cccnc3C#N)ccc12
InChIInChI=1S/C24H28N4O2S/c1-16(27-31(29,30)18-8-9-18)21-14-28(15-24(2,3)4)23-12-17(7-10-20(21)23)19-6-5-11-26-22(19)13-25/h5-7,10-12,14,16,18,27H,8-9,15H2,1-4H3/t16-/m1/s1
InChIKeyLZOLGXIBTIUTHS-MRXNPFEDSA-N
MW436.58 g/mol
LogP4.76
Rot. Bonds6

About N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide

N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 170345329) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID170345329
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3cccnc3C#N)ccc12
InChIInChI=1S/C24H28N4O2S/c1-16(27-31(29,30)18-8-9-18)21-14-28(15-24(2,3)4)23-12-17(7-10-20(21)23)19-6-5-11-26-22(19)13-25/h5-7,10-12,14,16,18,27H,8-9,15H2,1-4H3/t16-/m1/s1
InChIKeyLZOLGXIBTIUTHS-MRXNPFEDSA-N
XLogP4.76
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345331
N-[1-[6-(3-cyano-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956815
N-[1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 169304510
N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956586
N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911205
N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345210
N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345326
N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956638
N-[1-deuterio-1-[1-(2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304900
N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345118
N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345384
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170346831

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (CID 170345329) is N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is C[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3cccnc3C#N)ccc12.
What is the InChIKey of N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is LZOLGXIBTIUTHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-16(27-31(29,30)18-8-9-18)21-14-28(15-24(2,3)4)23-12-17(7-10-20(21)23)19-6-5-11-26-22(19)13-25/h5-7,10-12,14,16,18,27H,8-9,15H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 436.58 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 170345329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).