2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride

C19H25ClFN3O3S — CID 120827986

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-14(21-2)13-22-19(24)17(12-15-8-4-3-5-9-15)23-27(25,26)18-11-7-6-10-16(18)20;/h3-11,14,17,21,23H,12-13H2,1-2H3,(H,22,24);1H
InChIKeyDONUOQGAWWUXAB-UHFFFAOYSA-N
MW429.95 g/mol
LogP1.86
Rot. Bonds9

About 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride

2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 120827986) has the molecular formula C19H25ClFN3O3S and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID120827986
Molecular FormulaC19H25ClFN3O3S
Molecular Weight429.95 g/mol
Exact Mass429.13
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-14(21-2)13-22-19(24)17(12-15-8-4-3-5-9-15)23-27(25,26)18-11-7-6-10-16(18)20;/h3-11,14,17,21,23H,12-13H2,1-2H3,(H,22,24);1H
InChIKeyDONUOQGAWWUXAB-UHFFFAOYSA-N
XLogP1.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55963872
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide
CID 55940699
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
(2S)-N-[4-(4-fluorophenoxy)butyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55935368
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 18224680

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride (CID 120827986) is 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride is CNC(C)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.Cl.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is DONUOQGAWWUXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S.ClH/c1-14(21-2)13-22-19(24)17(12-15-8-4-3-5-9-15)23-27(25,26)18-11-7-6-10-16(18)20;/h3-11,14,17,21,23H,12-13H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride?
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120827986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).