N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride

C16H25ClN4O2S — CID 120895629

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride
SMILESCC(C)n1cnc(S(=O)(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C16H24N4O2S.ClH/c1-14(2)19-12-16(18-13-19)23(21,22)20(11-9-17)10-8-15-6-4-3-5-7-15;/h3-7,12-14H,8-11,17H2,1-2H3;1H
InChIKeyPUXHOOMMQGPKJG-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.08
Rot. Bonds8

About N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride (PubChem CID 120895629) has the molecular formula C16H25ClN4O2S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride
PubChem CID120895629
Molecular FormulaC16H25ClN4O2S
Molecular Weight372.92 g/mol
Exact Mass372.14
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride
SMILESCC(C)n1cnc(S(=O)(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C16H24N4O2S.ClH/c1-14(2)19-12-16(18-13-19)23(21,22)20(11-9-17)10-8-15-6-4-3-5-7-15;/h3-7,12-14H,8-11,17H2,1-2H3;1H
InChIKeyPUXHOOMMQGPKJG-UHFFFAOYSA-N
XLogP2.08
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N'-[methyl(2-methylpropyl)sulfamoyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895741
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120895643
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride
CID 120895309
N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide
CID 107366734

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride (CID 120895629) is N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride is CC(C)n1cnc(S(=O)(=O)N(CCN)CCc2ccccc2)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride?
The InChIKey is PUXHOOMMQGPKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S.ClH/c1-14(2)19-12-16(18-13-19)23(21,22)20(11-9-17)10-8-15-6-4-3-5-7-15;/h3-7,12-14H,8-11,17H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride has a molecular weight of 372.92 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120895629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).