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

C18H20N4O3S — CID 131936556

IUPAC4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H20N4O3S/c1-14-8-10-16(11-9-14)26(23,24)20-13-5-12-19-18-21-17(22-25-18)15-6-3-2-4-7-15/h2-4,6-11,20H,5,12-13H2,1H3,(H,19,21,22)
InChIKeyFLPLWCXGJURJKI-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.83
Rot. Bonds8

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

4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide (PubChem CID 131936556) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide
PubChem CID131936556
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H20N4O3S/c1-14-8-10-16(11-9-14)26(23,24)20-13-5-12-19-18-21-17(22-25-18)15-6-3-2-4-7-15/h2-4,6-11,20H,5,12-13H2,1H3,(H,19,21,22)
InChIKeyFLPLWCXGJURJKI-UHFFFAOYSA-N
XLogP2.83
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4870862
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
3,4-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322874
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 50842176
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
CID 69083499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide (CID 131936556) is 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCNc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide?
The InChIKey is FLPLWCXGJURJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-14-8-10-16(11-9-14)26(23,24)20-13-5-12-19-18-21-17(22-25-18)15-6-3-2-4-7-15/h2-4,6-11,20H,5,12-13H2,1H3,(H,19,21,22).
What are the key properties of 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide?
4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide is sourced from PubChem (CID 131936556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).