2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

C26H28N2O4S — CID 24660961

IUPAC2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H28N2O4S/c1-19-8-11-23(12-9-19)27-33(30,31)25-18-22(10-13-24(25)32-2)26(29)28-16-14-21(15-17-28)20-6-4-3-5-7-20/h3-13,18,21,27H,14-17H2,1-2H3
InChIKeyYKNXFINDQGIYBQ-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.82
Rot. Bonds6

About 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 24660961) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID24660961
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H28N2O4S/c1-19-8-11-23(12-9-19)27-33(30,31)25-18-22(10-13-24(25)32-2)26(29)28-16-14-21(15-17-28)20-6-4-3-5-7-20/h3-13,18,21,27H,14-17H2,1-2H3
InChIKeyYKNXFINDQGIYBQ-UHFFFAOYSA-N
XLogP4.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(4-methylidenepiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 56570710
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 55370417
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 25152522
N-[(1R)-1-cyclopropylethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 51648761
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43005274

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 24660961) is 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is YKNXFINDQGIYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-19-8-11-23(12-9-19)27-33(30,31)25-18-22(10-13-24(25)32-2)26(29)28-16-14-21(15-17-28)20-6-4-3-5-7-20/h3-13,18,21,27H,14-17H2,1-2H3.
What are the key properties of 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 24660961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).