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

C23H24FN3O4S — CID 91064816

IUPACN-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C=CC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1F
InChIInChI=1S/C23H24FN3O4S/c1-32(29,30)26-20-9-7-17(15-19(20)24)8-10-22(28)27-13-11-23(12-14-27)16-21(25-31-23)18-5-3-2-4-6-18/h2-10,15-16,25-26H,11-14H2,1H3
InChIKeyIHUMBQVGANJVRY-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.15
Rot. Bonds5

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

N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide (PubChem CID 91064816) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide
PubChem CID91064816
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC NameN-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C=CC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1F
InChIInChI=1S/C23H24FN3O4S/c1-32(29,30)26-20-9-7-17(15-19(20)24)8-10-22(28)27-13-11-23(12-14-27)16-21(25-31-23)18-5-3-2-4-6-18/h2-10,15-16,25-26H,11-14H2,1H3
InChIKeyIHUMBQVGANJVRY-UHFFFAOYSA-N
XLogP3.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Related Compounds

(E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 30906887
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
CID 24685299
N-[4-[(E)-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]phenyl]methanesulfonamide
CID 45868218
N-[2-fluoro-4-[(E)-3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide
CID 69299053
N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide
CID 69299054
N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide
CID 69439644
(E)-3-cyclopenta-1,3-dien-1-yl-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 90346756
N-[5-[8-[3-(4-tert-butylphenyl)prop-2-enoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]-2-fluorophenyl]methanesulfonamide
CID 91295031
8-(4-fluorophenyl)sulfonyl-N-[1-(4-nitrophenyl)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91358612
N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide
CID 91360834
(E)-N-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 18150430
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide (CID 91064816) is N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C=CC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide?
The InChIKey is IHUMBQVGANJVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-32(29,30)26-20-9-7-17(15-19(20)24)8-10-22(28)27-13-11-23(12-14-27)16-21(25-31-23)18-5-3-2-4-6-18/h2-10,15-16,25-26H,11-14H2,1H3.
What are the key properties of N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide?
N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide has a molecular weight of 457.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[3-oxo-3-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)prop-1-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 91064816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).