4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide

C27H24F4N6O4S — CID 163474046

IUPAC4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCC(=O)NC2CCC(=O)NC2=O)nc1
InChIInChI=1S/C27H24F4N6O4S/c1-26(2)24(41)36(18-10-6-14(12-32)21(22(18)28)27(29,30)31)25(42)37(26)16-8-7-15(33-13-16)4-3-5-19(38)34-17-9-11-20(39)35-23(17)40/h6-8,10,13,17H,3-5,9,11H2,1-2H3,(H,34,38)(H,35,39,40)
InChIKeyBYXDGELKVJEHOG-UHFFFAOYSA-N
MW604.59 g/mol
LogP3.27
Rot. Bonds7

About 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide

4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide (PubChem CID 163474046) has the molecular formula C27H24F4N6O4S and a molecular weight of 604.59 g/mol. Its IUPAC name is 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide
PubChem CID163474046
Molecular FormulaC27H24F4N6O4S
Molecular Weight604.59 g/mol
Exact Mass604.15
IUPAC Name4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCC(=O)NC2CCC(=O)NC2=O)nc1
InChIInChI=1S/C27H24F4N6O4S/c1-26(2)24(41)36(18-10-6-14(12-32)21(22(18)28)27(29,30)31)25(42)37(26)16-8-7-15(33-13-16)4-3-5-19(38)34-17-9-11-20(39)35-23(17)40/h6-8,10,13,17H,3-5,9,11H2,1-2H3,(H,34,38)(H,35,39,40)
InChIKeyBYXDGELKVJEHOG-UHFFFAOYSA-N
XLogP3.27
TPSA135.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide?
The IUPAC name of 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide (CID 163474046) is 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide.
What is the SMILES notation for 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide?
The canonical SMILES for 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide is CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCC(=O)NC2CCC(=O)NC2=O)nc1.
What is the InChIKey of 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide?
The InChIKey is BYXDGELKVJEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N6O4S/c1-26(2)24(41)36(18-10-6-14(12-32)21(22(18)28)27(29,30)31)25(42)37(26)16-8-7-15(33-13-16)4-3-5-19(38)34-17-9-11-20(39)35-23(17)40/h6-8,10,13,17H,3-5,9,11H2,1-2H3,(H,34,38)(H,35,39,40).
What are the key properties of 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide?
4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide has a molecular weight of 604.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-pyridinyl]-N-(2,6-dioxopiperidin-3-yl)butanamide is sourced from PubChem (CID 163474046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).