2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide

C16H22N4O2S2 — CID 6584127

IUPAC2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCSCC[C@@H](N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1
InChIInChI=1S/C16H22N4O2S2/c1-10-4-5-13(11(2)8-10)18-14(21)9-24-16-20-19-15(22-16)12(17)6-7-23-3/h4-5,8,12H,6-7,9,17H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyQNAUUINXCJHUBQ-GFCCVEGCSA-N
MW366.51 g/mol
LogP3.17
Rot. Bonds8

About 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide

2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 6584127) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID6584127
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCSCC[C@@H](N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1
InChIInChI=1S/C16H22N4O2S2/c1-10-4-5-13(11(2)8-10)18-14(21)9-24-16-20-19-15(22-16)12(17)6-7-23-3/h4-5,8,12H,6-7,9,17H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyQNAUUINXCJHUBQ-GFCCVEGCSA-N
XLogP3.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 163331268
2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
CID 163331286
2-[[5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 52994467
2-[[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 3367181
N-(2-methyl-4-nitrophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4043986
N-(2,4-dimethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3167516
2-[[5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 1206525
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2,4-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4023777
2-[(5-benzhydryl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 19060717
2-[[5-(1-amino-3-methylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 3563031
N-(2,4-dimethylphenyl)-2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126345428

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide (CID 6584127) is 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide is CSCC[C@@H](N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1.
What is the InChIKey of 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is QNAUUINXCJHUBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-10-4-5-13(11(2)8-10)18-14(21)9-24-16-20-19-15(22-16)12(17)6-7-23-3/h4-5,8,12H,6-7,9,17H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 6584127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).