8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C23H28FN3O3S — CID 130201005

IUPAC8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2
InChIInChI=1S/C23H28FN3O3S/c1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30/h4-10,15H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyAUAMSTUARWVBIO-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.53
Rot. Bonds4

About 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201005) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201005
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC Name8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2
InChIInChI=1S/C23H28FN3O3S/c1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30/h4-10,15H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyAUAMSTUARWVBIO-UHFFFAOYSA-N
XLogP3.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,5-Dioxodibenzothiophen-2-Yl)-4,4-Difluoro-Piperidine-1-Carboxamide
CID 91754971
N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094
N-(2-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372217
N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372743
N-(4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372745
N-(3-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372867
N-(4-butylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372871
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
CID 53372872
(1R,5S)-3-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190908
1-[3-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(4-methylsulfinylphenyl)urea
CID 44295267
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(4-methanesulfonyl-phenyl)-urea
CID 44295288
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-methanesulfonyl-phenyl)-urea
CID 44295555

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201005) is 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is AUAMSTUARWVBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30/h4-10,15H,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 445.56 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).