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

C16H25ClN4O4S — CID 120865690

IUPACN-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2cc(S(=O)(=O)NCCOC)ccc2C)n1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-11-5-6-13(25(21,22)18-7-8-23-4)10-14(11)16-19-15(20-24-16)9-12(2)17-3;/h5-6,10,12,17-18H,7-9H2,1-4H3;1H
InChIKeyKJVUXPXXRKSVFN-UHFFFAOYSA-N
MW404.92 g/mol
LogP1.54
Rot. Bonds9

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

N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (PubChem CID 120865690) has the molecular formula C16H25ClN4O4S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
PubChem CID120865690
Molecular FormulaC16H25ClN4O4S
Molecular Weight404.92 g/mol
Exact Mass404.13
IUPAC NameN-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2cc(S(=O)(=O)NCCOC)ccc2C)n1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-11-5-6-13(25(21,22)18-7-8-23-4)10-14(11)16-19-15(20-24-16)9-12(2)17-3;/h5-6,10,12,17-18H,7-9H2,1-4H3;1H
InChIKeyKJVUXPXXRKSVFN-UHFFFAOYSA-N
XLogP1.54
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 51.54
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

N-methyl-1-[5-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867502
N-tert-butyl-4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867178
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride
CID 120867292
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120868799
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
1-[5-(2-iodo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867055

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (CID 120865690) is N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is CNC(C)Cc1noc(-c2cc(S(=O)(=O)NCCOC)ccc2C)n1.Cl.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The InChIKey is KJVUXPXXRKSVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S.ClH/c1-11-5-6-13(25(21,22)18-7-8-23-4)10-14(11)16-19-15(20-24-16)9-12(2)17-3;/h5-6,10,12,17-18H,7-9H2,1-4H3;1H.
What are the key properties of N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120865690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).