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

C27H32F3N3O3S — CID 169304925

IUPAC2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc2c([C@H](NS(=O)(=O)C3CC3)C(F)(F)F)cn(CC(C)(C)C)c2c1
InChIInChI=1S/C27H32F3N3O3S/c1-26(2,3)16-33-15-22(24(27(28,29)30)31-37(35,36)18-11-12-18)20-13-10-17(14-23(20)33)19-8-6-7-9-21(19)25(34)32(4)5/h6-10,13-15,18,24,31H,11-12,16H2,1-5H3/t24-/m0/s1
InChIKeyHTUZCJYCLFADDL-DEOSSOPVSA-N
MW535.63 g/mol
LogP5.74
Rot. Bonds7

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

2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide (PubChem CID 169304925) has the molecular formula C27H32F3N3O3S and a molecular weight of 535.63 g/mol. Its IUPAC name is 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide
PubChem CID169304925
Molecular FormulaC27H32F3N3O3S
Molecular Weight535.63 g/mol
Exact Mass535.21
IUPAC Name2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc2c([C@H](NS(=O)(=O)C3CC3)C(F)(F)F)cn(CC(C)(C)C)c2c1
InChIInChI=1S/C27H32F3N3O3S/c1-26(2,3)16-33-15-22(24(27(28,29)30)31-37(35,36)18-11-12-18)20-13-10-17(14-23(20)33)19-8-6-7-9-21(19)25(34)32(4)5/h6-10,13-15,18,24,31H,11-12,16H2,1-5H3/t24-/m0/s1
InChIKeyHTUZCJYCLFADDL-DEOSSOPVSA-N
XLogP5.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide 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-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911205
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-[(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-(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)-2,2,2-trifluoro-1-[1-[(1-methylcyclopropyl)methyl]-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 166911190
N-[(1S)-1-deuterio-1-[1-(2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclobutanesulfonamide
CID 169304440
N-[(1S)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[4-fluoro-2-(fluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 169304496

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide (CID 169304925) is 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1-c1ccc2c([C@H](NS(=O)(=O)C3CC3)C(F)(F)F)cn(CC(C)(C)C)c2c1.
What is the InChIKey of 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide?
The InChIKey is HTUZCJYCLFADDL-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32F3N3O3S/c1-26(2,3)16-33-15-22(24(27(28,29)30)31-37(35,36)18-11-12-18)20-13-10-17(14-23(20)33)19-8-6-7-9-21(19)25(34)32(4)5/h6-10,13-15,18,24,31H,11-12,16H2,1-5H3/t24-/m0/s1.
What are the key properties of 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide?
2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide has a molecular weight of 535.63 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 169304925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).