N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide

C25H32N4O4S — CID 75628389

IUPACN-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide
SMILESO=S(=O)(Nc1cccc(C(O)CNCCOc2ccc3c(C4CCC4)[nH]nc3c2)c1)C1CCC1
InChIInChI=1S/C25H32N4O4S/c30-24(18-6-2-7-19(14-18)29-34(31,32)21-8-3-9-21)16-26-12-13-33-20-10-11-22-23(15-20)27-28-25(22)17-4-1-5-17/h2,6-7,10-11,14-15,17,21,24,26,29-30H,1,3-5,8-9,12-13,16H2,(H,27,28)
InChIKeyFMLBKCRUESRIQJ-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.83
Rot. Bonds11

About N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide

N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide (PubChem CID 75628389) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide
PubChem CID75628389
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide
SMILESO=S(=O)(Nc1cccc(C(O)CNCCOc2ccc3c(C4CCC4)[nH]nc3c2)c1)C1CCC1
InChIInChI=1S/C25H32N4O4S/c30-24(18-6-2-7-19(14-18)29-34(31,32)21-8-3-9-21)16-26-12-13-33-20-10-11-22-23(15-20)27-28-25(22)17-4-1-5-17/h2,6-7,10-11,14-15,17,21,24,26,29-30H,1,3-5,8-9,12-13,16H2,(H,27,28)
InChIKeyFMLBKCRUESRIQJ-UHFFFAOYSA-N
XLogP3.83
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide
CID 59370734
N-[3-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclopropanesulfonamide
CID 51347729
N-[2-chloro-5-[(1R)-2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 45280024
N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 58961388
3-bromo-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 70657373
2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 70656863
3-amino-N-[3-[(1R)-1-hydroxy-2-[2-[(3-propan-2-yl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 51347731
2,5-difluoro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 51348037
N-[3-[(1R)-1-hydroxy-2-[2-[[3-(trifluoromethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 88850759
N-[3-[(1R)-2-[2-[(3-ethyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]thiophene-2-sulfonamide
CID 70656983
N-[3-[2-[2-[(3-ethyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 70657116
3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 51347133

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide?
The IUPAC name of N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide (CID 75628389) is N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide?
The canonical SMILES for N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide is O=S(=O)(Nc1cccc(C(O)CNCCOc2ccc3c(C4CCC4)[nH]nc3c2)c1)C1CCC1.
What is the InChIKey of N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide?
The InChIKey is FMLBKCRUESRIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c30-24(18-6-2-7-19(14-18)29-34(31,32)21-8-3-9-21)16-26-12-13-33-20-10-11-22-23(15-20)27-28-25(22)17-4-1-5-17/h2,6-7,10-11,14-15,17,21,24,26,29-30H,1,3-5,8-9,12-13,16H2,(H,27,28).
What are the key properties of N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide?
N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide has a molecular weight of 484.62 g/mol, XLogP of 3.83, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide is sourced from PubChem (CID 75628389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).