N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride

C17H25ClN4O3S — CID 120867292

IUPACN-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccccc2SCC(=O)NCCOC)n1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-12(18-2)10-15-20-17(24-21-15)13-6-4-5-7-14(13)25-11-16(22)19-8-9-23-3;/h4-7,12,18H,8-11H2,1-3H3,(H,19,22);1H
InChIKeyBTASMZVFJVCKHW-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.16
Rot. Bonds10

About N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride

N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride (PubChem CID 120867292) has the molecular formula C17H25ClN4O3S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride
PubChem CID120867292
Molecular FormulaC17H25ClN4O3S
Molecular Weight400.93 g/mol
Exact Mass400.13
IUPAC NameN-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccccc2SCC(=O)NCCOC)n1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-12(18-2)10-15-20-17(24-21-15)13-6-4-5-7-14(13)25-11-16(22)19-8-9-23-3;/h4-7,12,18H,8-11H2,1-3H3,(H,19,22);1H
InChIKeyBTASMZVFJVCKHW-UHFFFAOYSA-N
XLogP2.16
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 120865038
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
N-methyl-1-[5-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867495
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120865690
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone;hydrochloride
CID 120865027
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
N-methyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylbenzenesulfonamide;hydrochloride
CID 120869121
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(1-phenylethyl)benzamide
CID 55334460
N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 30136255

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride (CID 120867292) is N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride is CNC(C)Cc1noc(-c2ccccc2SCC(=O)NCCOC)n1.Cl.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride?
The InChIKey is BTASMZVFJVCKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S.ClH/c1-12(18-2)10-15-20-17(24-21-15)13-6-4-5-7-14(13)25-11-16(22)19-8-9-23-3;/h4-7,12,18H,8-11H2,1-3H3,(H,19,22);1H.
What are the key properties of N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride?
N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride has a molecular weight of 400.93 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride is sourced from PubChem (CID 120867292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).