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

C16H27ClN2O2S — CID 119641427

IUPACN-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCCOc1ccc(SCC(=O)NCC(N)(CC)CC)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-4-16(17,5-2)12-18-15(19)11-21-14-9-7-13(8-10-14)20-6-3;/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyNOLKRZHDUGWOMB-UHFFFAOYSA-N
MW346.92 g/mol
LogP3.23
Rot. Bonds9

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

N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119641427) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
PubChem CID119641427
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCCOc1ccc(SCC(=O)NCC(N)(CC)CC)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-4-16(17,5-2)12-18-15(19)11-21-14-9-7-13(8-10-14)20-6-3;/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyNOLKRZHDUGWOMB-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 66170023
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119522886
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79675642
2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933406
2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 31519678
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride (CID 119641427) is N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride is CCOc1ccc(SCC(=O)NCC(N)(CC)CC)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is NOLKRZHDUGWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-4-16(17,5-2)12-18-15(19)11-21-14-9-7-13(8-10-14)20-6-3;/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119641427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).