N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide

C24H36N2O2S — CID 170345384

IUPACN-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CCC1)c1cn(CC(C)(C)C)c2cc(C3CCCC3)ccc12
InChIInChI=1S/C24H36N2O2S/c1-17(25-29(27,28)20-10-7-11-20)22-15-26(16-24(2,3)4)23-14-19(12-13-21(22)23)18-8-5-6-9-18/h12-15,17-18,20,25H,5-11,16H2,1-4H3/t17-/m1/s1
InChIKeyBLCKHCWDUYMBBU-QGZVFWFLSA-N
MW416.63 g/mol
LogP5.88
Rot. Bonds6

About N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide

N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide (PubChem CID 170345384) has the molecular formula C24H36N2O2S and a molecular weight of 416.63 g/mol. Its IUPAC name is N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide
PubChem CID170345384
Molecular FormulaC24H36N2O2S
Molecular Weight416.63 g/mol
Exact Mass416.25
IUPAC NameN-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CCC1)c1cn(CC(C)(C)C)c2cc(C3CCCC3)ccc12
InChIInChI=1S/C24H36N2O2S/c1-17(25-29(27,28)20-10-7-11-20)22-15-26(16-24(2,3)4)23-14-19(12-13-21(22)23)18-8-5-6-9-18/h12-15,17-18,20,25H,5-11,16H2,1-4H3/t17-/m1/s1
InChIKeyBLCKHCWDUYMBBU-QGZVFWFLSA-N
XLogP5.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345210
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956520
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-fluoro-6-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345390
N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345326
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 166911996
N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345331
N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345329
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-methyl-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170346831
N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 169304644
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(5-fluoro-3-pyridinyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956690
N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956586
N-[1-[6-(3-cyano-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956815

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide?
The IUPAC name of N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide (CID 170345384) is N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide?
The canonical SMILES for N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide is C[C@@H](NS(=O)(=O)C1CCC1)c1cn(CC(C)(C)C)c2cc(C3CCCC3)ccc12.
What is the InChIKey of N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide?
The InChIKey is BLCKHCWDUYMBBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H36N2O2S/c1-17(25-29(27,28)20-10-7-11-20)22-15-26(16-24(2,3)4)23-14-19(12-13-21(22)23)18-8-5-6-9-18/h12-15,17-18,20,25H,5-11,16H2,1-4H3/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide?
N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide has a molecular weight of 416.63 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide is sourced from PubChem (CID 170345384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).