4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide

C25H24N2O3S — CID 132938718

IUPAC4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)Oc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-12-14-21(15-13-18)31(28,29)26-17-19(2)30-25-16-24(20-8-4-3-5-9-20)27-23-11-7-6-10-22(23)25/h3-16,19,26H,17H2,1-2H3
InChIKeyBFWUAPWLQNUDIA-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.96
Rot. Bonds7

About 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide

4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide (PubChem CID 132938718) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide
PubChem CID132938718
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)Oc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-12-14-21(15-13-18)31(28,29)26-17-19(2)30-25-16-24(20-8-4-3-5-9-20)27-23-11-7-6-10-22(23)25/h3-16,19,26H,17H2,1-2H3
InChIKeyBFWUAPWLQNUDIA-UHFFFAOYSA-N
XLogP4.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
4-ethoxy-2-phenylquinoline
CID 14954061
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
[2-methyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate
CID 25158928
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 57408238
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
CID 101386257
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide (CID 132938718) is 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)Oc2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide?
The InChIKey is BFWUAPWLQNUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-18-12-14-21(15-13-18)31(28,29)26-17-19(2)30-25-16-24(20-8-4-3-5-9-20)27-23-11-7-6-10-22(23)25/h3-16,19,26H,17H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide?
4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-phenylquinolin-4-yl)oxypropyl]benzenesulfonamide is sourced from PubChem (CID 132938718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).