N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride

C20H27ClN2O4S — CID 120885953

IUPACN-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCC(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O4S.ClH/c1-27(24,25)19-9-7-18(8-10-19)26-16-12-20(23)22(15-13-21)14-11-17-5-3-2-4-6-17;/h2-10H,11-16,21H2,1H3;1H
InChIKeyUHVKXGAFKONKPC-UHFFFAOYSA-N
MW426.97 g/mol
LogP2.31
Rot. Bonds10

About N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120885953) has the molecular formula C20H27ClN2O4S and a molecular weight of 426.97 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120885953
Molecular FormulaC20H27ClN2O4S
Molecular Weight426.97 g/mol
Exact Mass426.14
IUPAC NameN-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCC(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O4S.ClH/c1-27(24,25)19-9-7-18(8-10-19)26-16-12-20(23)22(15-13-21)14-11-17-5-3-2-4-6-17;/h2-10H,11-16,21H2,1H3;1H
InChIKeyUHVKXGAFKONKPC-UHFFFAOYSA-N
XLogP2.31
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886449
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
2-[methyl-[3-(4-methylsulfonylphenoxy)propanoyl]amino]propanoic acid
CID 119358763
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120885953) is N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride is CS(=O)(=O)c1ccc(OCCC(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is UHVKXGAFKONKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S.ClH/c1-27(24,25)19-9-7-18(8-10-19)26-16-12-20(23)22(15-13-21)14-11-17-5-3-2-4-6-17;/h2-10H,11-16,21H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 426.97 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120885953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).