N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride

C19H26ClN3O3S — CID 120886149

IUPACN-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-16(21-26(24,25)18-10-6-3-7-11-18)19(23)22(15-13-20)14-12-17-8-4-2-5-9-17;/h2-11,16,21H,12-15,20H2,1H3;1H
InChIKeyYNEMEYGONZBJOW-UHFFFAOYSA-N
MW411.96 g/mol
LogP1.81
Rot. Bonds9

About N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120886149) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120886149
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-16(21-26(24,25)18-10-6-3-7-11-18)19(23)22(15-13-20)14-12-17-8-4-2-5-9-17;/h2-11,16,21H,12-15,20H2,1H3;1H
InChIKeyYNEMEYGONZBJOW-UHFFFAOYSA-N
XLogP1.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886147
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120886821
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
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-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120884463
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120886149) is N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride is CC(NS(=O)(=O)c1ccccc1)C(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is YNEMEYGONZBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-16(21-26(24,25)18-10-6-3-7-11-18)19(23)22(15-13-20)14-12-17-8-4-2-5-9-17;/h2-11,16,21H,12-15,20H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 1.81, 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-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120886149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).