2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride

C16H23ClN4O2S2 — CID 163331286

IUPAC2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CSc1nnc(C(N)CCSC)o1.Cl
InChIInChI=1S/C16H22N4O2S2.ClH/c1-3-11-6-4-5-7-13(11)18-14(21)10-24-16-20-19-15(22-16)12(17)8-9-23-2;/h4-7,12H,3,8-10,17H2,1-2H3,(H,18,21);1H
InChIKeyWLUSWIROHPMANN-UHFFFAOYSA-N
MW402.97 g/mol
LogP3.54
Rot. Bonds9

About 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride

2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride (PubChem CID 163331286) has the molecular formula C16H23ClN4O2S2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
PubChem CID163331286
Molecular FormulaC16H23ClN4O2S2
Molecular Weight402.97 g/mol
Exact Mass402.10
IUPAC Name2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CSc1nnc(C(N)CCSC)o1.Cl
InChIInChI=1S/C16H22N4O2S2.ClH/c1-3-11-6-4-5-7-13(11)18-14(21)10-24-16-20-19-15(22-16)12(17)8-9-23-2;/h4-7,12H,3,8-10,17H2,1-2H3,(H,18,21);1H
InChIKeyWLUSWIROHPMANN-UHFFFAOYSA-N
XLogP3.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride with MolForge

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Related Compounds

2-[[5-(1-amino-3-methylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 3563031
2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 163331268
2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 6584127
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 56731749
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 112787182
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
N-(2-hydroxyphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3999454
N-(2-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981797
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
2-[[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 3367181
N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride
CID 75064472
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride (CID 163331286) is 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride is CCc1ccccc1NC(=O)CSc1nnc(C(N)CCSC)o1.Cl.
What is the InChIKey of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
The InChIKey is WLUSWIROHPMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2.ClH/c1-3-11-6-4-5-7-13(11)18-14(21)10-24-16-20-19-15(22-16)12(17)8-9-23-2;/h4-7,12H,3,8-10,17H2,1-2H3,(H,18,21);1H.
What are the key properties of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 163331286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).