N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide

C14H20N4O3S — CID 120867248

IUPACN-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(-c2nc(CC(C)NC)no2)c1
InChIInChI=1S/C14H20N4O3S/c1-4-16-22(19,20)12-7-5-6-11(9-12)14-17-13(18-21-14)8-10(2)15-3/h5-7,9-10,15-16H,4,8H2,1-3H3
InChIKeyJNTCXBDZLPGXAH-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.19
Rot. Bonds7

About N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide

N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 120867248) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID120867248
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(-c2nc(CC(C)NC)no2)c1
InChIInChI=1S/C14H20N4O3S/c1-4-16-22(19,20)12-7-5-6-11(9-12)14-17-13(18-21-14)8-10(2)15-3/h5-7,9-10,15-16H,4,8H2,1-3H3
InChIKeyJNTCXBDZLPGXAH-UHFFFAOYSA-N
XLogP1.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120866192
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
CID 120861710
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
N-(2-methoxyethyl)-4-methyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120865690
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzenesulfonamide
CID 120868800
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120868799
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-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 120867248) is N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide is CCNS(=O)(=O)c1cccc(-c2nc(CC(C)NC)no2)c1.
What is the InChIKey of N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is JNTCXBDZLPGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-4-16-22(19,20)12-7-5-6-11(9-12)14-17-13(18-21-14)8-10(2)15-3/h5-7,9-10,15-16H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 120867248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).