N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride

C18H23ClN2OS — CID 119995528

IUPACN-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(SCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-14(11-19)12-20-18(21)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;/h2-10,14H,11-13,19H2,1H3,(H,20,21);1H
InChIKeySVJGIYHHIJNONS-UHFFFAOYSA-N
MW350.92 g/mol
LogP3.73
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride (PubChem CID 119995528) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
PubChem CID119995528
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC NameN-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(SCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-14(11-19)12-20-18(21)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;/h2-10,14H,11-13,19H2,1H3,(H,20,21);1H
InChIKeySVJGIYHHIJNONS-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
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N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
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4-benzylsulfanyl-N-[3-(methylamino)propyl]benzamide
CID 119433476
N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 111448039
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride (CID 119995528) is N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride is CC(CN)CNC(=O)c1ccc(SCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride?
The InChIKey is SVJGIYHHIJNONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS.ClH/c1-14(11-19)12-20-18(21)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;/h2-10,14H,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119995528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).