N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide

C23H27FN2O3S — CID 169036794

IUPACN-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
SMILESCC(F)C(=O)N1CC2(CC2)C(NS(C)(=O)=O)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H27FN2O3S/c1-16(24)22(27)26-15-23(11-12-23)21(25-30(2,28)29)20(26)14-17-7-6-10-19(13-17)18-8-4-3-5-9-18/h3-10,13,16,20-21,25H,11-12,14-15H2,1-2H3
InChIKeyUPIQVZOSYDKHCI-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.16
Rot. Bonds6

About N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide

N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide (PubChem CID 169036794) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
PubChem CID169036794
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
SMILESCC(F)C(=O)N1CC2(CC2)C(NS(C)(=O)=O)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H27FN2O3S/c1-16(24)22(27)26-15-23(11-12-23)21(25-30(2,28)29)20(26)14-17-7-6-10-19(13-17)18-8-4-3-5-9-18/h3-10,13,16,20-21,25H,11-12,14-15H2,1-2H3
InChIKeyUPIQVZOSYDKHCI-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-methylpropanoyl)-7-[(3-phenylphenyl)methyl]-6-azaspiro[3.4]octan-8-yl]methanesulfonamide
CID 169036793
N-[(6S,7S)-5-(1-hydroxycyclobutanecarbonyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036718
N-[6-[[3-(3,5-difluorophenyl)phenyl]methyl]-5-(2-fluoro-2-methylpropanoyl)-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036813
N-[(6S,7S)-6-[[3-(3-fluorophenyl)phenyl]methyl]-5-[(2R)-oxetane-2-carbonyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036560
N-[6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-(2-methylpropanoyl)-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036771
N-[(2S,3S)-1-(2,2-difluoroacetyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 137462211
(6S,7S)-6-[(2-fluoro-3-phenylphenyl)methyl]-N-[(2S)-1-fluoropropan-2-yl]-7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036598
N-[1-(2-methylbutanoyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461609
N-[(6S,7S)-5-(3,3-difluoroazetidine-1-carbonyl)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036785
(6S,7S)-6-[(2,5-difluoro-3-phenylphenyl)methyl]-7-(methanesulfonamido)-N,N-dimethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036372
(6S,7S)-6-[(2-fluoro-3-phenylphenyl)methyl]-N-(2-hydroxyethyl)-7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036643
CID 154665197
CID 154665197

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
The IUPAC name of N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide (CID 169036794) is N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide is CC(F)C(=O)N1CC2(CC2)C(NS(C)(=O)=O)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
The InChIKey is UPIQVZOSYDKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-16(24)22(27)26-15-23(11-12-23)21(25-30(2,28)29)20(26)14-17-7-6-10-19(13-17)18-8-4-3-5-9-18/h3-10,13,16,20-21,25H,11-12,14-15H2,1-2H3.
What are the key properties of N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide is sourced from PubChem (CID 169036794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).