N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide

C30H28F3N3O5S — CID 162557618

IUPACN-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide
SMILESCC1=C(COc2ccc(S(=O)(=O)Nc3ccc(Oc4cc(C)nc5c(C(C)(F)F)cccc45)c(F)c3)cc2)C(C)NO1
InChIInChI=1S/C30H28F3N3O5S/c1-17-14-28(23-6-5-7-25(29(23)34-17)30(4,32)33)40-27-13-8-20(15-26(27)31)36-42(37,38)22-11-9-21(10-12-22)39-16-24-18(2)35-41-19(24)3/h5-15,18,35-36H,16H2,1-4H3
InChIKeyXUFRYYMYTJHWCU-UHFFFAOYSA-N
MW599.63 g/mol
LogP6.96
Rot. Bonds9

About N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide

N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 162557618) has the molecular formula C30H28F3N3O5S and a molecular weight of 599.63 g/mol. Its IUPAC name is N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide
PubChem CID162557618
Molecular FormulaC30H28F3N3O5S
Molecular Weight599.63 g/mol
Exact Mass599.17
IUPAC NameN-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide
SMILESCC1=C(COc2ccc(S(=O)(=O)Nc3ccc(Oc4cc(C)nc5c(C(C)(F)F)cccc45)c(F)c3)cc2)C(C)NO1
InChIInChI=1S/C30H28F3N3O5S/c1-17-14-28(23-6-5-7-25(29(23)34-17)30(4,32)33)40-27-13-8-20(15-26(27)31)36-42(37,38)22-11-9-21(10-12-22)39-16-24-18(2)35-41-19(24)3/h5-15,18,35-36H,16H2,1-4H3
InChIKeyXUFRYYMYTJHWCU-UHFFFAOYSA-N
XLogP6.96
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.63
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R)-N-hydroxy-2-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}sulfonyl)amino]cyclopentanecarboxamide
CID 11854559
cis-(1S,2R)-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 11854813
cis-(1S,2R)-N-hydroxy-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
CID 11854817
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
CID 11855326
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxolane-3-carboxamide
CID 11855328
(3R,4R)-N-hydroxy-3-methyl-4-(4-((2-methylquinolin-4-yl)methoxy)phenylsulfonamido)-tetrahydro-2H-pyran-3-carboxamide
CID 11856141
(1R,2R)-1-fluoro-N-hydroxy-2-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}sulfonyl)amino]cyclopentanecarboxamide
CID 11856419
(1S,2R)-N-hydroxy-1-methyl-2-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}sulfonyl)amino]cyclopentanecarboxamide
CID 11856677
(1S,2S,3R,4R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 57848902
(1S,6R)-N-hydroxy-6-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohex-3-ene-1-carboxamide
CID 11854816
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 11855070
(3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
CID 11855327

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide (CID 162557618) is N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide is CC1=C(COc2ccc(S(=O)(=O)Nc3ccc(Oc4cc(C)nc5c(C(C)(F)F)cccc45)c(F)c3)cc2)C(C)NO1.
What is the InChIKey of N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is XUFRYYMYTJHWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O5S/c1-17-14-28(23-6-5-7-25(29(23)34-17)30(4,32)33)40-27-13-8-20(15-26(27)31)36-42(37,38)22-11-9-21(10-12-22)39-16-24-18(2)35-41-19(24)3/h5-15,18,35-36H,16H2,1-4H3.
What are the key properties of N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide?
N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 599.63 g/mol, XLogP of 6.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 162557618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).