1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea

C32H32F2N4O4S — CID 67038016

IUPAC1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)cc1
InChIInChI=1S/C32H32F2N4O4S/c1-43(40,41)36-27-10-16-31(17-11-27)42-30-14-2-23(3-15-30)22-37-20-18-29(19-21-37)38(28-12-6-25(34)7-13-28)32(39)35-26-8-4-24(33)5-9-26/h2-17,29,36H,18-22H2,1H3,(H,35,39)
InChIKeyLBXBSJMFPAZOIO-UHFFFAOYSA-N
MW606.70 g/mol
LogP6.83
Rot. Bonds9

About 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea

1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea (PubChem CID 67038016) has the molecular formula C32H32F2N4O4S and a molecular weight of 606.70 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
PubChem CID67038016
Molecular FormulaC32H32F2N4O4S
Molecular Weight606.70 g/mol
Exact Mass606.21
IUPAC Name1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)cc1
InChIInChI=1S/C32H32F2N4O4S/c1-43(40,41)36-27-10-16-31(17-11-27)42-30-14-2-23(3-15-30)22-37-20-18-29(19-21-37)38(28-12-6-25(34)7-13-28)32(39)35-26-8-4-24(33)5-9-26/h2-17,29,36H,18-22H2,1H3,(H,35,39)
InChIKeyLBXBSJMFPAZOIO-UHFFFAOYSA-N
XLogP6.83
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.70
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea 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 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea?
The IUPAC name of 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea (CID 67038016) is 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea is CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea?
The InChIKey is LBXBSJMFPAZOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N4O4S/c1-43(40,41)36-27-10-16-31(17-11-27)42-30-14-2-23(3-15-30)22-37-20-18-29(19-21-37)38(28-12-6-25(34)7-13-28)32(39)35-26-8-4-24(33)5-9-26/h2-17,29,36H,18-22H2,1H3,(H,35,39).
What are the key properties of 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea?
1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea has a molecular weight of 606.70 g/mol, XLogP of 6.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea is sourced from PubChem (CID 67038016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).