2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride

C15H25ClN2OS — CID 138396792

IUPAC2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCCN(CC)CCSCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-17(5-2)10-11-19-12-15(18)16-14-9-7-6-8-13(14)3;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H
InChIKeyXDYQRFIMJNNIMJ-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.43
Rot. Bonds8

About 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride

2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride (PubChem CID 138396792) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride
PubChem CID138396792
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCCN(CC)CCSCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-17(5-2)10-11-19-12-15(18)16-14-9-7-6-8-13(14)3;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H
InChIKeyXDYQRFIMJNNIMJ-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
CID 131864899
3-[2-(2-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24694471
4-[2-(2-methylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 82182530
2-(3-aminobutylsulfanyl)-N-(2-methylphenyl)acetamide
CID 66231676
2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide
CID 125419852
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
N-ethyl-2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetamide
CID 9432874
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylphenyl)acetamide
CID 115745516
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride (CID 138396792) is 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride is CCN(CC)CCSCC(=O)Nc1ccccc1C.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride?
The InChIKey is XDYQRFIMJNNIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-4-17(5-2)10-11-19-12-15(18)16-14-9-7-6-8-13(14)3;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H.
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride?
2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 138396792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).