N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide

C23H26FN3O4S — CID 69279328

IUPACN-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide
SMILESCC(C(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H26FN3O4S/c1-16(18-8-9-20(19(24)14-18)26-32(2,29)30)22(28)27-12-10-23(11-13-27)15-21(25-31-23)17-6-4-3-5-7-17/h3-9,14,16,26H,10-13,15H2,1-2H3
InChIKeyGEQZFISMJFFURK-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.49
Rot. Bonds5

About N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide

N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide (PubChem CID 69279328) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide
PubChem CID69279328
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC NameN-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide
SMILESCC(C(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H26FN3O4S/c1-16(18-8-9-20(19(24)14-18)26-32(2,29)30)22(28)27-12-10-23(11-13-27)15-21(25-31-23)17-6-4-3-5-7-17/h3-9,14,16,26H,10-13,15H2,1-2H3
InChIKeyGEQZFISMJFFURK-UHFFFAOYSA-N
XLogP3.49
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide (CID 69279328) is N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide is CC(C(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide?
The InChIKey is GEQZFISMJFFURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-16(18-8-9-20(19(24)14-18)26-32(2,29)30)22(28)27-12-10-23(11-13-27)15-21(25-31-23)17-6-4-3-5-7-17/h3-9,14,16,26H,10-13,15H2,1-2H3.
What are the key properties of N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide?
N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide has a molecular weight of 459.54 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[1-oxo-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 69279328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).