N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline

C24H34FN3O5S2 — CID 85470419

IUPACN-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
SMILESCC(C)CN(c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1)S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C24H34FN3O5S2/c1-19(2)17-28(35(31,32)26(3)18-20-5-7-21(25)8-6-20)22-9-11-23(12-10-22)33-24-13-15-27(16-14-24)34(4,29)30/h5-12,19,24H,13-18H2,1-4H3
InChIKeyYYNUMDYGAKBGGV-UHFFFAOYSA-N
MW527.68 g/mol
LogP3.47
Rot. Bonds10

About N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline

N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline (PubChem CID 85470419) has the molecular formula C24H34FN3O5S2 and a molecular weight of 527.68 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
PubChem CID85470419
Molecular FormulaC24H34FN3O5S2
Molecular Weight527.68 g/mol
Exact Mass527.19
IUPAC NameN-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
SMILESCC(C)CN(c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1)S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C24H34FN3O5S2/c1-19(2)17-28(35(31,32)26(3)18-20-5-7-21(25)8-6-20)22-9-11-23(12-10-22)33-24-13-15-27(16-14-24)34(4,29)30/h5-12,19,24H,13-18H2,1-4H3
InChIKeyYYNUMDYGAKBGGV-UHFFFAOYSA-N
XLogP3.47
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.68
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
The IUPAC name of N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline (CID 85470419) is N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
The canonical SMILES for N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline is CC(C)CN(c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1)S(=O)(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
The InChIKey is YYNUMDYGAKBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O5S2/c1-19(2)17-28(35(31,32)26(3)18-20-5-7-21(25)8-6-20)22-9-11-23(12-10-22)33-24-13-15-27(16-14-24)34(4,29)30/h5-12,19,24H,13-18H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline has a molecular weight of 527.68 g/mol, XLogP of 3.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl-methylsulfamoyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 85470419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).