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

C15H9F4N3O3S — CID 3717682

IUPACN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1cccs1
InChIInChI=1S/C15H9F4N3O3S/c16-8-3-5-9(6-4-8)22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)10-2-1-7-26-10/h1-7H,(H,20,23)(H,21,25)
InChIKeyYXEQXDMENYMCRC-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.63
Rot. Bonds3

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

N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (PubChem CID 3717682) has the molecular formula C15H9F4N3O3S and a molecular weight of 387.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
PubChem CID3717682
Molecular FormulaC15H9F4N3O3S
Molecular Weight387.31 g/mol
Exact Mass387.03
IUPAC NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1cccs1
InChIInChI=1S/C15H9F4N3O3S/c16-8-3-5-9(6-4-8)22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)10-2-1-7-26-10/h1-7H,(H,20,23)(H,21,25)
InChIKeyYXEQXDMENYMCRC-UHFFFAOYSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-phenyl-5-(thien-3-ylmethylene)-2-thioxoimidazolidin-4-one
CID 16188811
(5E)-3-phenyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 1815138
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 3695297
Pyrrolidine-1,2-dicarboxylic acid 1-[(4-fluoro-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219648
N-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 726533
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4839896
N-[(1E)-3-[(3-fluorophenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]thiophene-2-carboxamide
CID 5347416
N-[(2-fluorophenyl)carbamoyl]-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide
CID 16322734
N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17478727
N-(4-fluorophenyl)-4-(2-(thiophene-2-carboxamido)ethyl)piperazine-1-carboxamide
CID 49677020
N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
CID 2962305

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (CID 3717682) is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1cccs1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The InChIKey is YXEQXDMENYMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O3S/c16-8-3-5-9(6-4-8)22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)10-2-1-7-26-10/h1-7H,(H,20,23)(H,21,25).
What are the key properties of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide has a molecular weight of 387.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3717682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).