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

C13H14F3N3O3S — CID 3245898

IUPACN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O3S/c1-7(2)6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyLKNPXWGRIQWFQI-UHFFFAOYSA-N
MW349.33 g/mol
LogP1.94
Rot. Bonds4

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

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (PubChem CID 3245898) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
PubChem CID3245898
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O3S/c1-7(2)6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyLKNPXWGRIQWFQI-UHFFFAOYSA-N
XLogP1.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (CID 3245898) is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is CC(C)CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The InChIKey is LKNPXWGRIQWFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-7(2)6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3245898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).