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

C15H21ClN4O2S — CID 120830474

IUPACN-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(SCc2nc(C)no2)cc1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-10(16-3)8-17-15(20)12-4-6-13(7-5-12)22-9-14-18-11(2)19-21-14;/h4-7,10,16H,8-9H2,1-3H3,(H,17,20);1H
InChIKeyHTEFPYKPGXVGFJ-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.43
Rot. Bonds7

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

N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride (PubChem CID 120830474) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
PubChem CID120830474
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC NameN-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(SCc2nc(C)no2)cc1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-10(16-3)8-17-15(20)12-4-6-13(7-5-12)22-9-14-18-11(2)19-21-14;/h4-7,10,16H,8-9H2,1-3H3,(H,17,20);1H
InChIKeyHTEFPYKPGXVGFJ-UHFFFAOYSA-N
XLogP2.43
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30776681
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]benzamide
CID 30777843
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2R)-2-phenylbutyl]benzamide
CID 30777841
methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
CID 30898964
N-[2-(methylamino)propyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120827644
N-(2-aminoethyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886495
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
2-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid
CID 113371755
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride (CID 120830474) is N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(SCc2nc(C)no2)cc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
The InChIKey is HTEFPYKPGXVGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c1-10(16-3)8-17-15(20)12-4-6-13(7-5-12)22-9-14-18-11(2)19-21-14;/h4-7,10,16H,8-9H2,1-3H3,(H,17,20);1H.
What are the key properties of N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride is sourced from PubChem (CID 120830474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).