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

C24H27F3N2O2S — CID 170345118

IUPACN-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc([C@@H](C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H27F3N2O2S/c1-15(2)13-29-14-21(16(3)28-32(30,31)18-9-10-18)20-11-8-17(12-23(20)29)19-6-4-5-7-22(19)24(25,26)27/h4-8,11-12,14-16,18,28H,9-10,13H2,1-3H3/t16-/m1/s1
InChIKeyBCPDIIYUUXRKFZ-MRXNPFEDSA-N
MW464.55 g/mol
LogP6.13
Rot. Bonds7

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

N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 170345118) has the molecular formula C24H27F3N2O2S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID170345118
Molecular FormulaC24H27F3N2O2S
Molecular Weight464.55 g/mol
Exact Mass464.17
IUPAC NameN-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc([C@@H](C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H27F3N2O2S/c1-15(2)13-29-14-21(16(3)28-32(30,31)18-9-10-18)20-11-8-17(12-23(20)29)19-6-4-5-7-22(19)24(25,26)27/h4-8,11-12,14-16,18,28H,9-10,13H2,1-3H3/t16-/m1/s1
InChIKeyBCPDIIYUUXRKFZ-MRXNPFEDSA-N
XLogP6.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indole
CID 170348344
N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 163569055
N-[(1R)-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345381
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-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170346831
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)-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)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]-3,3-difluorocyclobutane-1-sulfonamide
CID 166911551
N-[(1R)-1-[1-[2-(chloromethyl)-3-hydroxy-2-methylpropyl]-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345271
N-[2,2,2-trifluoro-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 169304401
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]oxolane-3-sulfonamide
CID 170345319

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (CID 170345118) is N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is CC(C)Cn1cc([C@@H](C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is BCPDIIYUUXRKFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27F3N2O2S/c1-15(2)13-29-14-21(16(3)28-32(30,31)18-9-10-18)20-11-8-17(12-23(20)29)19-6-4-5-7-22(19)24(25,26)27/h4-8,11-12,14-16,18,28H,9-10,13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 170345118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).