N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide

C19H22FN3O2S2 — CID 163678484

IUPACN-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3cscn3)cc21
InChIInChI=1S/C19H22FN3O2S2/c1-12(2)8-23-9-13(7-22-27(24,25)14-3-4-14)15-5-17(20)16(6-19(15)23)18-10-26-11-21-18/h5-6,9-12,14,22H,3-4,7-8H2,1-2H3
InChIKeyJIUBMVOKIMEISQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.14
Rot. Bonds7

About N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide

N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 163678484) has the molecular formula C19H22FN3O2S2 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
PubChem CID163678484
Molecular FormulaC19H22FN3O2S2
Molecular Weight407.54 g/mol
Exact Mass407.11
IUPAC NameN-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3cscn3)cc21
InChIInChI=1S/C19H22FN3O2S2/c1-12(2)8-23-9-13(7-22-27(24,25)14-3-4-14)15-5-17(20)16(6-19(15)23)18-10-26-11-21-18/h5-6,9-12,14,22H,3-4,7-8H2,1-2H3
InChIKeyJIUBMVOKIMEISQ-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 166911462
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956789
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclobutanesulfonamide
CID 168956980
N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 166912093
N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956902
N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956874
2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide
CID 166911856
2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166910623
1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole
CID 168956766
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(5-fluoro-3-pyridinyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956690
N-[(1S)-1-[6-[4-(difluoromethyl)-6-methylpyrimidin-5-yl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 175920959
4-fluoro-5-(1,3-thiazol-4-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]aniline
CID 159141750

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide (CID 163678484) is N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide is CC(C)Cn1cc(CNS(=O)(=O)C2CC2)c2cc(F)c(-c3cscn3)cc21.
What is the InChIKey of N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is JIUBMVOKIMEISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S2/c1-12(2)8-23-9-13(7-22-27(24,25)14-3-4-14)15-5-17(20)16(6-19(15)23)18-10-26-11-21-18/h5-6,9-12,14,22H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide?
N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 163678484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).