3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide

C25H24FN3O3S — CID 46463974

IUPAC3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C25H24FN3O3S/c1-27-33(31,32)20-10-7-17(8-11-20)16-28-24(30)14-12-21-22-15-19(26)9-13-23(22)29-25(21)18-5-3-2-4-6-18/h2-11,13,15,27,29H,12,14,16H2,1H3,(H,28,30)
InChIKeyFUAIDDQYPYZRSP-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.13
Rot. Bonds8

About 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide (PubChem CID 46463974) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
PubChem CID46463974
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C25H24FN3O3S/c1-27-33(31,32)20-10-7-17(8-11-20)16-28-24(30)14-12-21-22-15-19(26)9-13-23(22)29-25(21)18-5-3-2-4-6-18/h2-11,13,15,27,29H,12,14,16H2,1H3,(H,28,30)
InChIKeyFUAIDDQYPYZRSP-UHFFFAOYSA-N
XLogP4.13
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803522
N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
CID 42025322
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17458105
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
3-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228674

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide (CID 46463974) is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide is CNS(=O)(=O)c1ccc(CNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
The InChIKey is FUAIDDQYPYZRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-27-33(31,32)20-10-7-17(8-11-20)16-28-24(30)14-12-21-22-15-19(26)9-13-23(22)29-25(21)18-5-3-2-4-6-18/h2-11,13,15,27,29H,12,14,16H2,1H3,(H,28,30).
What are the key properties of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide has a molecular weight of 465.55 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46463974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).