N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride

C13H22ClN3O3S — CID 120884697

IUPACN-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCNS(=O)(=O)CC(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-15-20(18,19)11-13(17)16(10-8-14)9-7-12-5-3-2-4-6-12;/h2-6,15H,7-11,14H2,1H3;1H
InChIKeyKYIPKDHSOKLZOA-UHFFFAOYSA-N
MW335.86 g/mol
LogP-0.01
Rot. Bonds8

About N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 120884697) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID120884697
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCNS(=O)(=O)CC(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-15-20(18,19)11-13(17)16(10-8-14)9-7-12-5-3-2-4-6-12;/h2-6,15H,7-11,14H2,1H3;1H
InChIKeyKYIPKDHSOKLZOA-UHFFFAOYSA-N
XLogP-0.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120886353
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
CID 120886814

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride (CID 120884697) is N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride is CNS(=O)(=O)CC(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is KYIPKDHSOKLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-15-20(18,19)11-13(17)16(10-8-14)9-7-12-5-3-2-4-6-12;/h2-6,15H,7-11,14H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 120884697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).