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

C16H19ClN4O3S2 — CID 120866192

IUPACN-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2cccc(NS(=O)(=O)c3cccs3)c2)n1.Cl
InChIInChI=1S/C16H18N4O3S2.ClH/c1-11(17-2)9-14-18-16(23-19-14)12-5-3-6-13(10-12)20-25(21,22)15-7-4-8-24-15;/h3-8,10-11,17,20H,9H2,1-2H3;1H
InChIKeyAZQRGHXQEAXPQU-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.17
Rot. Bonds7

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

N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 120866192) has the molecular formula C16H19ClN4O3S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID120866192
Molecular FormulaC16H19ClN4O3S2
Molecular Weight414.94 g/mol
Exact Mass414.06
IUPAC NameN-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2cccc(NS(=O)(=O)c3cccs3)c2)n1.Cl
InChIInChI=1S/C16H18N4O3S2.ClH/c1-11(17-2)9-14-18-16(23-19-14)12-5-3-6-13(10-12)20-25(21,22)15-7-4-8-24-15;/h3-8,10-11,17,20H,9H2,1-2H3;1H
InChIKeyAZQRGHXQEAXPQU-UHFFFAOYSA-N
XLogP3.17
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380545
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
2-methyl-N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]cyclopropane-1-carboxamide
CID 120865611
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
1-[5-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868765
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride (CID 120866192) is N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride is CNC(C)Cc1noc(-c2cccc(NS(=O)(=O)c3cccs3)c2)n1.Cl.
What is the InChIKey of N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is AZQRGHXQEAXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S2.ClH/c1-11(17-2)9-14-18-16(23-19-14)12-5-3-6-13(10-12)20-25(21,22)15-7-4-8-24-15;/h3-8,10-11,17,20H,9H2,1-2H3;1H.
What are the key properties of N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120866192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).