N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride

C15H24Cl2N2OS — CID 131864899

IUPACN-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
SMILESCCN(CC)CCSCC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C15H23ClN2OS.ClH/c1-4-18(5-2)9-10-20-11-14(19)17-15-12(3)7-6-8-13(15)16;/h6-8H,4-5,9-11H2,1-3H3,(H,17,19);1H
InChIKeyVQFYHMLNRWLVTD-UHFFFAOYSA-N
MW351.34 g/mol
LogP4.08
Rot. Bonds8

About N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride

N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride (PubChem CID 131864899) has the molecular formula C15H24Cl2N2OS and a molecular weight of 351.34 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
PubChem CID131864899
Molecular FormulaC15H24Cl2N2OS
Molecular Weight351.34 g/mol
Exact Mass350.10
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
SMILESCCN(CC)CCSCC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C15H23ClN2OS.ClH/c1-4-18(5-2)9-10-20-11-14(19)17-15-12(3)7-6-8-13(15)16;/h6-8H,4-5,9-11H2,1-3H3,(H,17,19);1H
InChIKeyVQFYHMLNRWLVTD-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 54.08
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

2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 138396792
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
CID 138396786
1,3-bis(2-chloro-6-methylphenyl)-1-[2-(diethylamino)ethyl]urea;hydrochloride
CID 3060892
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
CID 21153854
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 134064956
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
methyl 3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785569
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
CID 89442401
CID 89442401

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride (CID 131864899) is N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride is CCN(CC)CCSCC(=O)Nc1c(C)cccc1Cl.Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride?
The InChIKey is VQFYHMLNRWLVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS.ClH/c1-4-18(5-2)9-10-20-11-14(19)17-15-12(3)7-6-8-13(15)16;/h6-8H,4-5,9-11H2,1-3H3,(H,17,19);1H.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride?
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride has a molecular weight of 351.34 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 131864899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).