5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

C19H20F3N5O4S2 — CID 68765092

IUPAC5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCNS(=O)(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C19H20F3N5O4S2/c1-18(2)16(28)27(13-4-6-14(7-5-13)32-19(20,21)22)17(29)26(18)11-12-8-9-24-15(10-12)25-33(30,31)23-3/h4-10,23H,11H2,1-3H3,(H,24,25)
InChIKeyIUPHRFJOSFVFAB-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.32
Rot. Bonds7

About 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (PubChem CID 68765092) has the molecular formula C19H20F3N5O4S2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
PubChem CID68765092
Molecular FormulaC19H20F3N5O4S2
Molecular Weight503.53 g/mol
Exact Mass503.09
IUPAC Name5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCNS(=O)(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C19H20F3N5O4S2/c1-18(2)16(28)27(13-4-6-14(7-5-13)32-19(20,21)22)17(29)26(18)11-12-8-9-24-15(10-12)25-33(30,31)23-3/h4-10,23H,11H2,1-3H3,(H,24,25)
InChIKeyIUPHRFJOSFVFAB-UHFFFAOYSA-N
XLogP3.32
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (CID 68765092) is 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is CNS(=O)(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1.
What is the InChIKey of 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is IUPHRFJOSFVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O4S2/c1-18(2)16(28)27(13-4-6-14(7-5-13)32-19(20,21)22)17(29)26(18)11-12-8-9-24-15(10-12)25-33(30,31)23-3/h4-10,23H,11H2,1-3H3,(H,24,25).
What are the key properties of 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 503.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 68765092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).