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

C24H21F2N3O3S — CID 25496772

IUPAC3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1S(N)(=O)=O
InChIInChI=1S/C24H21F2N3O3S/c1-14-2-8-18(13-22(14)33(27,31)32)28-23(30)11-9-19-20-12-17(26)7-10-21(20)29-24(19)15-3-5-16(25)6-4-15/h2-8,10,12-13,29H,9,11H2,1H3,(H,28,30)(H2,27,31,32)
InChIKeyWUTYEERXLBEIFQ-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.64
Rot. Bonds6

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

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 25496772) has the molecular formula C24H21F2N3O3S and a molecular weight of 469.51 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID25496772
Molecular FormulaC24H21F2N3O3S
Molecular Weight469.51 g/mol
Exact Mass469.13
IUPAC Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1S(N)(=O)=O
InChIInChI=1S/C24H21F2N3O3S/c1-14-2-8-18(13-22(14)33(27,31)32)28-23(30)11-9-19-20-12-17(26)7-10-21(20)29-24(19)15-3-5-16(25)6-4-15/h2-8,10,12-13,29H,9,11H2,1H3,(H,28,30)(H2,27,31,32)
InChIKeyWUTYEERXLBEIFQ-UHFFFAOYSA-N
XLogP4.64
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
CID 166886005
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257330
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 8533693
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151
3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141287
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 25326081
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17458105
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 25496772) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide is Cc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1S(N)(=O)=O.
What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is WUTYEERXLBEIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3S/c1-14-2-8-18(13-22(14)33(27,31)32)28-23(30)11-9-19-20-12-17(26)7-10-21(20)29-24(19)15-3-5-16(25)6-4-15/h2-8,10,12-13,29H,9,11H2,1H3,(H,28,30)(H2,27,31,32).
What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 469.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25496772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).