N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide

C25H29F3N2O2S — CID 166911744

IUPACN-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(C(C)(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C25H29F3N2O2S/c1-16(2)14-30-15-22(24(3,4)29-33(31,32)18-10-11-18)20-12-9-17(13-23(20)30)19-7-5-6-8-21(19)25(26,27)28/h5-9,12-13,15-16,18,29H,10-11,14H2,1-4H3
InChIKeyUXGDTQCCYKWHHY-UHFFFAOYSA-N
MW478.58 g/mol
LogP6.30
Rot. Bonds7

About N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide

N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide (PubChem CID 166911744) has the molecular formula C25H29F3N2O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide
PubChem CID166911744
Molecular FormulaC25H29F3N2O2S
Molecular Weight478.58 g/mol
Exact Mass478.19
IUPAC NameN-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(C(C)(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C25H29F3N2O2S/c1-16(2)14-30-15-22(24(3,4)29-33(31,32)18-10-11-18)20-12-9-17(13-23(20)30)19-7-5-6-8-21(19)25(26,27)28/h5-9,12-13,15-16,18,29H,10-11,14H2,1-4H3
InChIKeyUXGDTQCCYKWHHY-UHFFFAOYSA-N
XLogP6.30
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide (CID 166911744) is N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide is CC(C)Cn1cc(C(C)(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide?
The InChIKey is UXGDTQCCYKWHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O2S/c1-16(2)14-30-15-22(24(3,4)29-33(31,32)18-10-11-18)20-12-9-17(13-23(20)30)19-7-5-6-8-21(19)25(26,27)28/h5-9,12-13,15-16,18,29H,10-11,14H2,1-4H3.
What are the key properties of N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide?
N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide has a molecular weight of 478.58 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]propan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 166911744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).