N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride

C14H23ClN2O2S — CID 119522886

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCCOc1ccc(SCC(=O)NC(C)(C)CN)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-4-18-11-5-7-12(8-6-11)19-9-13(17)16-14(2,3)10-15;/h5-8H,4,9-10,15H2,1-3H3,(H,16,17);1H
InChIKeyRBCNSIRHFVCAJO-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.45
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119522886) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
PubChem CID119522886
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCCOc1ccc(SCC(=O)NC(C)(C)CN)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-4-18-11-5-7-12(8-6-11)19-9-13(17)16-14(2,3)10-15;/h5-8H,4,9-10,15H2,1-3H3,(H,16,17);1H
InChIKeyRBCNSIRHFVCAJO-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933406
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
N-(1-amino-2-methylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119521442
2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79675642
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 66170023
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 119602529
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
CID 83202111
2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 47298335
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride (CID 119522886) is N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride is CCOc1ccc(SCC(=O)NC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is RBCNSIRHFVCAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-4-18-11-5-7-12(8-6-11)19-9-13(17)16-14(2,3)10-15;/h5-8H,4,9-10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119522886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).