N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride

C16H20Cl2N2OS — CID 119581746

IUPACN-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CSc1cccc2cccc(Cl)c12.Cl
InChIInChI=1S/C16H19ClN2OS.ClH/c1-11(9-18)19(2)15(20)10-21-14-8-4-6-12-5-3-7-13(17)16(12)14;/h3-8,11H,9-10,18H2,1-2H3;1H
InChIKeyKCZYKUVKYUHXCP-UHFFFAOYSA-N
MW359.32 g/mol
LogP3.81
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride (PubChem CID 119581746) has the molecular formula C16H20Cl2N2OS and a molecular weight of 359.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
PubChem CID119581746
Molecular FormulaC16H20Cl2N2OS
Molecular Weight359.32 g/mol
Exact Mass358.07
IUPAC NameN-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CSc1cccc2cccc(Cl)c12.Cl
InChIInChI=1S/C16H19ClN2OS.ClH/c1-11(9-18)19(2)15(20)10-21-14-8-4-6-12-5-3-7-13(17)16(12)14;/h3-8,11H,9-10,18H2,1-2H3;1H
InChIKeyKCZYKUVKYUHXCP-UHFFFAOYSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119582322
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441556
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
N-(1-aminopropan-2-yl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methylacetamide;hydrochloride
CID 119581860
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 9417530
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
N-(1-aminopropan-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119584496
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 39141553
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride (CID 119581746) is N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride is CC(CN)N(C)C(=O)CSc1cccc2cccc(Cl)c12.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride?
The InChIKey is KCZYKUVKYUHXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS.ClH/c1-11(9-18)19(2)15(20)10-21-14-8-4-6-12-5-3-7-13(17)16(12)14;/h3-8,11H,9-10,18H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride has a molecular weight of 359.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119581746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).