N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride

C19H25ClN2OS — CID 120884347

IUPACN-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCSc1ccc(C)c(C(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-15-8-9-17(23-2)14-18(15)19(22)21(13-11-20)12-10-16-6-4-3-5-7-16;/h3-9,14H,10-13,20H2,1-2H3;1H
InChIKeyLGRSRWWPFABUNI-UHFFFAOYSA-N
MW364.94 g/mol
LogP3.78
Rot. Bonds7

About N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride

N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 120884347) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID120884347
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC NameN-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCSc1ccc(C)c(C(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-15-8-9-17(23-2)14-18(15)19(22)21(13-11-20)12-10-16-6-4-3-5-7-16;/h3-9,14H,10-13,20H2,1-2H3;1H
InChIKeyLGRSRWWPFABUNI-UHFFFAOYSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886367
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
CID 120886368
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride (CID 120884347) is N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride is CSc1ccc(C)c(C(=O)N(CCN)CCc2ccccc2)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is LGRSRWWPFABUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS.ClH/c1-15-8-9-17(23-2)14-18(15)19(22)21(13-11-20)12-10-16-6-4-3-5-7-16;/h3-9,14H,10-13,20H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride?
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120884347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).