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

C16H21ClN4O2S — CID 75064472

IUPACN-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CSc1nnc(C2CCCN2)o1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-2-11-6-3-4-7-12(11)18-14(21)10-23-16-20-19-15(22-16)13-8-5-9-17-13;/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,18,21);1H
InChIKeyJEKFGUPNLFORDL-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.21
Rot. Bonds6

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

N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride (PubChem CID 75064472) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride
PubChem CID75064472
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC NameN-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CSc1nnc(C2CCCN2)o1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-2-11-6-3-4-7-12(11)18-14(21)10-23-16-20-19-15(22-16)13-8-5-9-17-13;/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,18,21);1H
InChIKeyJEKFGUPNLFORDL-UHFFFAOYSA-N
XLogP3.21
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3928995
N-(2,5-dimethylphenyl)-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2772020
tert-butyl 2-[5-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CID 3780880
N,N-dimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 6356344
N-(2-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981797
2-benzylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 3571196
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 56731749
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-ethylphenyl)acetamide;hydrochloride
CID 163331286
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 4015383
2-[[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 90500757

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride?
The IUPAC name of N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride (CID 75064472) is N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride is CCc1ccccc1NC(=O)CSc1nnc(C2CCCN2)o1.Cl.
What is the InChIKey of N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride?
The InChIKey is JEKFGUPNLFORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S.ClH/c1-2-11-6-3-4-7-12(11)18-14(21)10-23-16-20-19-15(22-16)13-8-5-9-17-13;/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,18,21);1H.
What are the key properties of N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride?
N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride has a molecular weight of 368.89 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 75064472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).