N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide

C16H12F3N3O3S — CID 2962322

IUPACN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccs1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15(20-12(23)11-7-4-8-26-11)13(24)22(14(25)21-15)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,23)(H,21,25)
InChIKeyJAANGBYPFWYURS-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.49
Rot. Bonds4

About N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide

N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (PubChem CID 2962322) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
PubChem CID2962322
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccs1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15(20-12(23)11-7-4-8-26-11)13(24)22(14(25)21-15)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,23)(H,21,25)
InChIKeyJAANGBYPFWYURS-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide 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-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (CID 2962322) is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccs1.
What is the InChIKey of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The InChIKey is JAANGBYPFWYURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-16(18,19)15(20-12(23)11-7-4-8-26-11)13(24)22(14(25)21-15)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,23)(H,21,25).
What are the key properties of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2962322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).