N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride

C15H24ClN3O2S — CID 120604222

IUPACN-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
SMILESCC(C)(C)SCC(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-15(2,3)21-10-13(19)18-12-7-5-4-6-11(12)14(20)17-9-8-16;/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19);1H
InChIKeyHLEQFKNAEKCQJZ-UHFFFAOYSA-N
MW345.90 g/mol
LogP2.27
Rot. Bonds6

About N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride (PubChem CID 120604222) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
PubChem CID120604222
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
SMILESCC(C)(C)SCC(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-15(2,3)21-10-13(19)18-12-7-5-4-6-11(12)14(20)17-9-8-16;/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19);1H
InChIKeyHLEQFKNAEKCQJZ-UHFFFAOYSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]benzamide;hydrochloride
CID 120603877
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603710
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120604324
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride (CID 120604222) is N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride is CC(C)(C)SCC(=O)Nc1ccccc1C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride?
The InChIKey is HLEQFKNAEKCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-15(2,3)21-10-13(19)18-12-7-5-4-6-11(12)14(20)17-9-8-16;/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 120604222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).