N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide

C19H22N4O3S — CID 133482418

IUPACN-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H22N4O3S/c1-14(2)23(3)27(24,25)17-11-9-15(10-12-17)13-20-19-21-18(26-22-19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyQQDVVQIQYMIWJI-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.38
Rot. Bonds7

About N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide

N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 133482418) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID133482418
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H22N4O3S/c1-14(2)23(3)27(24,25)17-11-9-15(10-12-17)13-20-19-21-18(26-22-19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyQQDVVQIQYMIWJI-UHFFFAOYSA-N
XLogP3.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide (CID 133482418) is N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(CNc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QQDVVQIQYMIWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14(2)23(3)27(24,25)17-11-9-15(10-12-17)13-20-19-21-18(26-22-19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,20,22).
What are the key properties of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 133482418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).