2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

C19H25ClN2OS — CID 119440366

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CSc1cc(C)ccc1C.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-4-20-12-16-7-5-6-8-17(16)21-19(22)13-23-18-11-14(2)9-10-15(18)3;/h5-11,20H,4,12-13H2,1-3H3,(H,21,22);1H
InChIKeyAZLVAXYEUYCILH-UHFFFAOYSA-N
MW364.94 g/mol
LogP4.57
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (PubChem CID 119440366) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
PubChem CID119440366
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CSc1cc(C)ccc1C.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-4-20-12-16-7-5-6-8-17(16)21-19(22)13-23-18-11-14(2)9-10-15(18)3;/h5-11,20H,4,12-13H2,1-3H3,(H,21,22);1H
InChIKeyAZLVAXYEUYCILH-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(2,5-dimethylphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440106
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119508375
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 42150419
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (CID 119440366) is 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is CCNCc1ccccc1NC(=O)CSc1cc(C)ccc1C.Cl.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The InChIKey is AZLVAXYEUYCILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS.ClH/c1-4-20-12-16-7-5-6-8-17(16)21-19(22)13-23-18-11-14(2)9-10-15(18)3;/h5-11,20H,4,12-13H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119440366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).