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

C26H32FN3O3S — CID 130201511

IUPAC1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2CC1CC1
InChIInChI=1S/C26H32FN3O3S/c1-28-26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-29(24(31)30(25)17-19-8-9-19)23-11-10-21(16-22(23)27)34(2,32)33/h3-7,10-11,16,19,28H,8-9,12-15,17-18H2,1-2H3
InChIKeyDPHLACUKBKLTLC-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.31
Rot. Bonds6

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

1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201511) has the molecular formula C26H32FN3O3S and a molecular weight of 485.63 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201511
Molecular FormulaC26H32FN3O3S
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC Name1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2CC1CC1
InChIInChI=1S/C26H32FN3O3S/c1-28-26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-29(24(31)30(25)17-19-8-9-19)23-11-10-21(16-22(23)27)34(2,32)33/h3-7,10-11,16,19,28H,8-9,12-15,17-18H2,1-2H3
InChIKeyDPHLACUKBKLTLC-UHFFFAOYSA-N
XLogP4.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094
N-(4-butylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372871
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
CID 53372872
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
N-(4-tert-butylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372744
N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372870
N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931423
US10807988, Example SC_3154
CID 130201005
US10807988, Example SC_3291
CID 130201012
US10807988, Example SC_3032
CID 130201226

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201511) is 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DPHLACUKBKLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3S/c1-28-26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-29(24(31)30(25)17-19-8-9-19)23-11-10-21(16-22(23)27)34(2,32)33/h3-7,10-11,16,19,28H,8-9,12-15,17-18H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 485.63 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).