N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide

C19H17F3N2O3S — CID 55567338

IUPACN-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)28(26,27)16-8-6-15(7-9-16)18(25)23-11-3-12-24-13-10-14-4-1-2-5-17(14)24/h1-2,4-10,13H,3,11-12H2,(H,23,25)
InChIKeyPEZUOXQWYFDFJL-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.75
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide

N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55567338) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55567338
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC NameN-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)28(26,27)16-8-6-15(7-9-16)18(25)23-11-3-12-24-13-10-14-4-1-2-5-17(14)24/h1-2,4-10,13H,3,11-12H2,(H,23,25)
InChIKeyPEZUOXQWYFDFJL-UHFFFAOYSA-N
XLogP3.75
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate
CID 47013165
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide (CID 55567338) is N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide is O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is PEZUOXQWYFDFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c20-19(21,22)28(26,27)16-8-6-15(7-9-16)18(25)23-11-3-12-24-13-10-14-4-1-2-5-17(14)24/h1-2,4-10,13H,3,11-12H2,(H,23,25).
What are the key properties of N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide?
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 410.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55567338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).