N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride

C16H21ClN2OS — CID 119439132

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1ccc(C)s1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-3-17-11-13-6-4-5-7-15(13)18-16(19)10-14-9-8-12(2)20-14;/h4-9,17H,3,10-11H2,1-2H3,(H,18,19);1H
InChIKeyAPAPRFZKLKMYGJ-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride (PubChem CID 119439132) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
PubChem CID119439132
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1ccc(C)s1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-3-17-11-13-6-4-5-7-15(13)18-16(19)10-14-9-8-12(2)20-14;/h4-9,17H,3,10-11H2,1-2H3,(H,18,19);1H
InChIKeyAPAPRFZKLKMYGJ-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440876
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120604324
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119439887
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride (CID 119439132) is N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride is CCNCc1ccccc1NC(=O)Cc1ccc(C)s1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
The InChIKey is APAPRFZKLKMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-3-17-11-13-6-4-5-7-15(13)18-16(19)10-14-9-8-12(2)20-14;/h4-9,17H,3,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119439132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).