N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C14H21ClN2O2S — CID 119694259

IUPACN-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCSc1ccc(NC(=O)CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-19-13-6-4-11(5-7-13)16-14(17)10-15-9-12-3-2-8-18-12;/h4-7,12,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyBAEHVBWVRFPUDY-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.54
Rot. Bonds6

About N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119694259) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119694259
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCSc1ccc(NC(=O)CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-19-13-6-4-11(5-7-13)16-14(17)10-15-9-12-3-2-8-18-12;/h4-7,12,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyBAEHVBWVRFPUDY-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673691
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 50977763
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119677925
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119694259) is N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is CSc1ccc(NC(=O)CNCC2CCCO2)cc1.Cl.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is BAEHVBWVRFPUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c1-19-13-6-4-11(5-7-13)16-14(17)10-15-9-12-3-2-8-18-12;/h4-7,12,15H,2-3,8-10H2,1H3,(H,16,17);1H.
What are the key properties of N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119694259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).