N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride

C14H23ClN2O2S — CID 119640688

IUPACN-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CSc1ccc(O)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-14(15,4-2)10-16-13(18)9-19-12-7-5-11(17)6-8-12;/h5-8,17H,3-4,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyFZCBIAARCKLKPC-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.54
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119640688) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
PubChem CID119640688
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CSc1ccc(O)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-14(15,4-2)10-16-13(18)9-19-12-7-5-11(17)6-8-12;/h5-8,17H,3-4,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyFZCBIAARCKLKPC-UHFFFAOYSA-N
XLogP2.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119625677
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119642937
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 47298335
N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 119405825
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
CID 81484822
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119642284
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride (CID 119640688) is N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride is CCC(N)(CC)CNC(=O)CSc1ccc(O)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is FZCBIAARCKLKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-3-14(15,4-2)10-16-13(18)9-19-12-7-5-11(17)6-8-12;/h5-8,17H,3-4,9-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119640688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).