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

C23H25F2N3O4S — CID 69279361

IUPACN-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide
SMILESCC(C(=O)N1CCC2(CC1)CC(c1cccc(F)c1)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H25F2N3O4S/c1-15(16-6-7-20(19(25)13-16)27-33(2,30)31)22(29)28-10-8-23(9-11-28)14-21(26-32-23)17-4-3-5-18(24)12-17/h3-7,12-13,15,27H,8-11,14H2,1-2H3
InChIKeyYTVVKQLLTYGDCS-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.63
Rot. Bonds5

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

N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide (PubChem CID 69279361) has the molecular formula C23H25F2N3O4S and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide
PubChem CID69279361
Molecular FormulaC23H25F2N3O4S
Molecular Weight477.53 g/mol
Exact Mass477.15
IUPAC NameN-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide
SMILESCC(C(=O)N1CCC2(CC1)CC(c1cccc(F)c1)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H25F2N3O4S/c1-15(16-6-7-20(19(25)13-16)27-33(2,30)31)22(29)28-10-8-23(9-11-28)14-21(26-32-23)17-4-3-5-18(24)12-17/h3-7,12-13,15,27H,8-11,14H2,1-2H3
InChIKeyYTVVKQLLTYGDCS-UHFFFAOYSA-N
XLogP3.63
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide 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-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide (CID 69279361) is N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide is CC(C(=O)N1CCC2(CC1)CC(c1cccc(F)c1)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide?
The InChIKey is YTVVKQLLTYGDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O4S/c1-15(16-6-7-20(19(25)13-16)27-33(2,30)31)22(29)28-10-8-23(9-11-28)14-21(26-32-23)17-4-3-5-18(24)12-17/h3-7,12-13,15,27H,8-11,14H2,1-2H3.
What are the key properties of N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide?
N-[2-fluoro-4-[1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide has a molecular weight of 477.53 g/mol, XLogP of 3.63, 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-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-oxopropan-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 69279361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).