N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide

C24H31F3N2O2S — CID 169304644

IUPACN-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
SMILESCC(C)(C)Cn1cc(C(NS(=O)(=O)C2CCC2)C(F)(F)F)c2ccc(C3=CCCC3)cc21
InChIInChI=1S/C24H31F3N2O2S/c1-23(2,3)15-29-14-20(19-12-11-17(13-21(19)29)16-7-4-5-8-16)22(24(25,26)27)28-32(30,31)18-9-6-10-18/h7,11-14,18,22,28H,4-6,8-10,15H2,1-3H3
InChIKeyOKZOEHXDCIGVEB-UHFFFAOYSA-N
MW468.59 g/mol
LogP6.33
Rot. Bonds6

About N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide

N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide (PubChem CID 169304644) has the molecular formula C24H31F3N2O2S and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
PubChem CID169304644
Molecular FormulaC24H31F3N2O2S
Molecular Weight468.59 g/mol
Exact Mass468.21
IUPAC NameN-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
SMILESCC(C)(C)Cn1cc(C(NS(=O)(=O)C2CCC2)C(F)(F)F)c2ccc(C3=CCCC3)cc21
InChIInChI=1S/C24H31F3N2O2S/c1-23(2,3)15-29-14-20(19-12-11-17(13-21(19)29)16-7-4-5-8-16)22(24(25,26)27)28-32(30,31)18-9-6-10-18/h7,11-14,18,22,28H,4-6,8-10,15H2,1-3H3
InChIKeyOKZOEHXDCIGVEB-UHFFFAOYSA-N
XLogP6.33
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
The IUPAC name of N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide (CID 169304644) is N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
The canonical SMILES for N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide is CC(C)(C)Cn1cc(C(NS(=O)(=O)C2CCC2)C(F)(F)F)c2ccc(C3=CCCC3)cc21.
What is the InChIKey of N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
The InChIKey is OKZOEHXDCIGVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O2S/c1-23(2,3)15-29-14-20(19-12-11-17(13-21(19)29)16-7-4-5-8-16)22(24(25,26)27)28-32(30,31)18-9-6-10-18/h7,11-14,18,22,28H,4-6,8-10,15H2,1-3H3.
What are the key properties of N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide has a molecular weight of 468.59 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(cyclopenten-1-yl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide is sourced from PubChem (CID 169304644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).