N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride

C19H25ClFN3O3S — CID 120886147

IUPACN-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-15(22-27(25,26)18-10-6-5-9-17(18)20)19(24)23(14-12-21)13-11-16-7-3-2-4-8-16;/h2-10,15,22H,11-14,21H2,1H3;1H
InChIKeyQAEQGCMHOCVJOB-UHFFFAOYSA-N
MW429.95 g/mol
LogP1.94
Rot. Bonds9

About N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120886147) has the molecular formula C19H25ClFN3O3S and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120886147
Molecular FormulaC19H25ClFN3O3S
Molecular Weight429.95 g/mol
Exact Mass429.13
IUPAC NameN-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccccc1F)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-15(22-27(25,26)18-10-6-5-9-17(18)20)19(24)23(14-12-21)13-11-16-7-3-2-4-8-16;/h2-10,15,22H,11-14,21H2,1H3;1H
InChIKeyQAEQGCMHOCVJOB-UHFFFAOYSA-N
XLogP1.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120886821
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 46533772
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 25484811
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride (CID 120886147) is N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride is CC(NS(=O)(=O)c1ccccc1F)C(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is QAEQGCMHOCVJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S.ClH/c1-15(22-27(25,26)18-10-6-5-9-17(18)20)19(24)23(14-12-21)13-11-16-7-3-2-4-8-16;/h2-10,15,22H,11-14,21H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120886147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).