(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride

C13H20BrClN2O3S — CID 119328873

IUPAC(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O3S.ClH/c1-9(15)12(17)16-8-13(2,3)20(18,19)11-6-4-10(14)5-7-11;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H/t9-;/m1./s1
InChIKeyHKHKVKFYWPNRPQ-SBSPUUFOSA-N
MW399.74 g/mol
LogP1.89
Rot. Bonds5

About (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride (PubChem CID 119328873) has the molecular formula C13H20BrClN2O3S and a molecular weight of 399.74 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
PubChem CID119328873
Molecular FormulaC13H20BrClN2O3S
Molecular Weight399.74 g/mol
Exact Mass398.01
IUPAC Name(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O3S.ClH/c1-9(15)12(17)16-8-13(2,3)20(18,19)11-6-4-10(14)5-7-11;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H/t9-;/m1./s1
InChIKeyHKHKVKFYWPNRPQ-SBSPUUFOSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.74
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792990
N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119792992
N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-4-bromobenzamide
CID 119299513
(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
CID 119322850
2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
CID 120651607
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
CID 119508899
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride (CID 119328873) is (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride?
The InChIKey is HKHKVKFYWPNRPQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H19BrN2O3S.ClH/c1-9(15)12(17)16-8-13(2,3)20(18,19)11-6-4-10(14)5-7-11;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride has a molecular weight of 399.74 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride is sourced from PubChem (CID 119328873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).