N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride

C18H24ClN3O3S — CID 120884759

IUPACN-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-25(23,24)20-17-9-7-16(8-10-17)18(22)21(14-12-19)13-11-15-5-3-2-4-6-15;/h2-10,20H,11-14,19H2,1H3;1H
InChIKeyYBZJVOYEIIVSJL-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.12
Rot. Bonds8

About N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride

N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 120884759) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID120884759
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-25(23,24)20-17-9-7-16(8-10-17)18(22)21(14-12-19)13-11-15-5-3-2-4-6-15;/h2-10,20H,11-14,19H2,1H3;1H
InChIKeyYBZJVOYEIIVSJL-UHFFFAOYSA-N
XLogP2.12
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120885122
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
N-(2-aminoethyl)-N-(2-phenylethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 120884588
N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
CID 120886799

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride (CID 120884759) is N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride is CS(=O)(=O)Nc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is YBZJVOYEIIVSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-25(23,24)20-17-9-7-16(8-10-17)18(22)21(14-12-19)13-11-15-5-3-2-4-6-15;/h2-10,20H,11-14,19H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride?
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120884759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).