4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

C19H25ClN2OS — CID 120652660

IUPAC4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(SCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-3-20-15(2)13-21-19(22)17-9-11-18(12-10-17)23-14-16-7-5-4-6-8-16;/h4-12,15,20H,3,13-14H2,1-2H3,(H,21,22);1H/t15-;/m1./s1
InChIKeyQKRIFYOFTDMZCS-XFULWGLBSA-N
MW364.94 g/mol
LogP4.13
Rot. Bonds8

About 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (PubChem CID 120652660) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
PubChem CID120652660
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC Name4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(SCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-3-20-15(2)13-21-19(22)17-9-11-18(12-10-17)23-14-16-7-5-4-6-8-16;/h4-12,15,20H,3,13-14H2,1-2H3,(H,21,22);1H/t15-;/m1./s1
InChIKeyQKRIFYOFTDMZCS-XFULWGLBSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
CID 119995528
4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447030
N-[(2R)-2-(ethylamino)propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide;dihydrochloride
CID 120654034
N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
CID 119629882
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
4-benzylsulfanyl-N-[3-(methylamino)propyl]benzamide
CID 119433476
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120654480
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120654100
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (CID 120652660) is 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(SCc2ccccc2)cc1.Cl.
What is the InChIKey of 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The InChIKey is QKRIFYOFTDMZCS-XFULWGLBSA-N. The full InChI is InChI=1S/C19H24N2OS.ClH/c1-3-20-15(2)13-21-19(22)17-9-11-18(12-10-17)23-14-16-7-5-4-6-8-16;/h4-12,15,20H,3,13-14H2,1-2H3,(H,21,22);1H/t15-;/m1./s1.
What are the key properties of 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120652660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).