N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

C25H26F3N3O2S — CID 166911205

IUPACN-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3C#N)cc21
InChIInChI=1S/C25H26F3N3O2S/c1-24(2,3)15-31-14-21(23(25(26,27)28)30-34(32,33)18-9-10-18)20-11-8-16(12-22(20)31)19-7-5-4-6-17(19)13-29/h4-8,11-12,14,18,23,30H,9-10,15H2,1-3H3/t23-/m0/s1
InChIKeyIDDOQUYTQLCKAR-QHCPKHFHSA-N
MW489.56 g/mol
LogP5.91
Rot. Bonds6

About N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (PubChem CID 166911205) has the molecular formula C25H26F3N3O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
PubChem CID166911205
Molecular FormulaC25H26F3N3O2S
Molecular Weight489.56 g/mol
Exact Mass489.17
IUPAC NameN-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3C#N)cc21
InChIInChI=1S/C25H26F3N3O2S/c1-24(2,3)15-31-14-21(23(25(26,27)28)30-34(32,33)18-9-10-18)20-11-8-16(12-22(20)31)19-7-5-4-6-17(19)13-29/h4-8,11-12,14,18,23,30H,9-10,15H2,1-3H3/t23-/m0/s1
InChIKeyIDDOQUYTQLCKAR-QHCPKHFHSA-N
XLogP5.91
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]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)-1-[1-(3-cyano-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911263
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911156
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]-3,3-difluorocyclobutane-1-sulfonamide
CID 166911551
N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345329
N-[1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 169304510
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 166911996
N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 163569055
N-[1-deuterio-1-[1-(2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304900
N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 169304644
N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-methylindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 170347901
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 175920939
(4S)-4-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-5,5,5-trifluoro-2-methylpentane-2-sulfinamide
CID 169304725

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (CID 166911205) is N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is CC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3C#N)cc21.
What is the InChIKey of N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The InChIKey is IDDOQUYTQLCKAR-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26F3N3O2S/c1-24(2,3)15-31-14-21(23(25(26,27)28)30-34(32,33)18-9-10-18)20-11-8-16(12-22(20)31)19-7-5-4-6-17(19)13-29/h4-8,11-12,14,18,23,30H,9-10,15H2,1-3H3/t23-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide has a molecular weight of 489.56 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is sourced from PubChem (CID 166911205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).