N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride

C19H25ClFN3O3S — CID 119997361

IUPACN-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
SMILESCC(CN)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-14(12-21)13-22-19(24)17(11-15-7-3-2-4-8-15)23-27(25,26)18-10-6-5-9-16(18)20;/h2-10,14,17,23H,11-13,21H2,1H3,(H,22,24);1H
InChIKeyUUAZHJQXTWCPOG-UHFFFAOYSA-N
MW429.95 g/mol
LogP1.85
Rot. Bonds9

About N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride (PubChem CID 119997361) has the molecular formula C19H25ClFN3O3S and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
PubChem CID119997361
Molecular FormulaC19H25ClFN3O3S
Molecular Weight429.95 g/mol
Exact Mass429.13
IUPAC NameN-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
SMILESCC(CN)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-14(12-21)13-22-19(24)17(11-15-7-3-2-4-8-15)23-27(25,26)18-10-6-5-9-16(18)20;/h2-10,14,17,23H,11-13,21H2,1H3,(H,22,24);1H
InChIKeyUUAZHJQXTWCPOG-UHFFFAOYSA-N
XLogP1.85
TPSA101.29 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 ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55963872
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide
CID 55940699
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
(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-amino-2-oxoethyl) (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2540770
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 18224680

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride (CID 119997361) is N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride is CC(CN)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride?
The InChIKey is UUAZHJQXTWCPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S.ClH/c1-14(12-21)13-22-19(24)17(11-15-7-3-2-4-8-15)23-27(25,26)18-10-6-5-9-16(18)20;/h2-10,14,17,23H,11-13,21H2,1H3,(H,22,24);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 1.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119997361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).