N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide

C21H23F3N4O3S — CID 142929110

IUPACN-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide
SMILESC/N=C/C=C(\C=C(/C)NC=O)CN1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C21H23F3N4O3S/c1-14(26-13-29)11-15(9-10-25-4)12-27-19(31)28(18(30)20(27,2)3)16-5-7-17(8-6-16)32-21(22,23)24/h5-11,13H,12H2,1-4H3,(H,26,29)/b14-11+,15-9+,25-10+
InChIKeyNDBXHCUUZQRYHS-PZTNXALSSA-N
MW468.50 g/mol
LogP4.12
Rot. Bonds8

About N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide

N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide (PubChem CID 142929110) has the molecular formula C21H23F3N4O3S and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide
PubChem CID142929110
Molecular FormulaC21H23F3N4O3S
Molecular Weight468.50 g/mol
Exact Mass468.14
IUPAC NameN-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide
SMILESC/N=C/C=C(\C=C(/C)NC=O)CN1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C21H23F3N4O3S/c1-14(26-13-29)11-15(9-10-25-4)12-27-19(31)28(18(30)20(27,2)3)16-5-7-17(8-6-16)32-21(22,23)24/h5-11,13H,12H2,1-4H3,(H,26,29)/b14-11+,15-9+,25-10+
InChIKeyNDBXHCUUZQRYHS-PZTNXALSSA-N
XLogP4.12
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide 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-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide?
The IUPAC name of N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide (CID 142929110) is N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide.
What is the SMILES notation for N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide?
The canonical SMILES for N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide is C/N=C/C=C(\C=C(/C)NC=O)CN1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)C1(C)C.
What is the InChIKey of N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide?
The InChIKey is NDBXHCUUZQRYHS-PZTNXALSSA-N. The full InChI is InChI=1S/C21H23F3N4O3S/c1-14(26-13-29)11-15(9-10-25-4)12-27-19(31)28(18(30)20(27,2)3)16-5-7-17(8-6-16)32-21(22,23)24/h5-11,13H,12H2,1-4H3,(H,26,29)/b14-11+,15-9+,25-10+.
What are the key properties of N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide?
N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide has a molecular weight of 468.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-6-methyliminohexa-2,4-dien-2-yl]formamide is sourced from PubChem (CID 142929110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).