N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide

C19H19F3N4O4S2 — CID 54580422

IUPACN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H19F3N4O4S2/c1-18(2)16(27)26(13-4-6-14(7-5-13)31-19(20,21)22)17(28)25(18)11-12-8-9-23-15(10-12)24-32(3,29)30/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyHABDHZPUSVXZKC-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.81
Rot. Bonds6

About N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide (PubChem CID 54580422) has the molecular formula C19H19F3N4O4S2 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
PubChem CID54580422
Molecular FormulaC19H19F3N4O4S2
Molecular Weight488.51 g/mol
Exact Mass488.08
IUPAC NameN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H19F3N4O4S2/c1-18(2)16(27)26(13-4-6-14(7-5-13)31-19(20,21)22)17(28)25(18)11-12-8-9-23-15(10-12)24-32(3,29)30/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyHABDHZPUSVXZKC-UHFFFAOYSA-N
XLogP3.81
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide (CID 54580422) is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide is CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is HABDHZPUSVXZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4S2/c1-18(2)16(27)26(13-4-6-14(7-5-13)31-19(20,21)22)17(28)25(18)11-12-8-9-23-15(10-12)24-32(3,29)30/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 488.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 54580422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).