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

C20H23ClN4O2S — CID 6603221

IUPAC2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.Cl
InChIInChI=1S/C20H22N4O2S.ClH/c1-2-15-10-6-7-11-17(15)22-18(25)13-27-20-24-23-19(26-20)16(21)12-14-8-4-3-5-9-14;/h3-11,16H,2,12-13,21H2,1H3,(H,22,25);1H/t16-;/m0./s1
InChIKeyGSZBOXFTMGHZMZ-NTISSMGPSA-N
MW418.95 g/mol
LogP4.03
Rot. Bonds8

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

2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride (PubChem CID 6603221) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
PubChem CID6603221
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.Cl
InChIInChI=1S/C20H22N4O2S.ClH/c1-2-15-10-6-7-11-17(15)22-18(25)13-27-20-24-23-19(26-20)16(21)12-14-8-4-3-5-9-14;/h3-11,16H,2,12-13,21H2,1H3,(H,22,25);1H/t16-;/m0./s1
InChIKeyGSZBOXFTMGHZMZ-NTISSMGPSA-N
XLogP4.03
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride (CID 6603221) is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride is CCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.Cl.
What is the InChIKey of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
The InChIKey is GSZBOXFTMGHZMZ-NTISSMGPSA-N. The full InChI is InChI=1S/C20H22N4O2S.ClH/c1-2-15-10-6-7-11-17(15)22-18(25)13-27-20-24-23-19(26-20)16(21)12-14-8-4-3-5-9-14;/h3-11,16H,2,12-13,21H2,1H3,(H,22,25);1H/t16-;/m0./s1.
What are the key properties of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride?
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride has a molecular weight of 418.95 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 6603221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).