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

C13H14F3N3O3S — CID 7013806

IUPACN-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)CN1C(=O)N[C@](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)/t12-/m0/s1
InChIKeyLKNPXWGRIQWFQI-LBPRGKRZSA-N
MW349.33 g/mol
LogP1.94
Rot. Bonds4

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

N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (PubChem CID 7013806) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
PubChem CID7013806
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC NameN-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)CN1C(=O)N[C@](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)/t12-/m0/s1
InChIKeyLKNPXWGRIQWFQI-LBPRGKRZSA-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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Related Compounds

2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7472380
N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 2220199
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 7044502
N-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7632065
N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 7012722
N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]thiophene-2-carboxamide
CID 7013534
N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide
CID 58166502
N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]thiophene-2-carboxamide
CID 7107011
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
CID 41064433
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 7044627

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (CID 7013806) is N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is CC(C)CN1C(=O)N[C@](NC(=O)c2cccs2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The InChIKey is LKNPXWGRIQWFQI-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
N-[(4S)-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-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 7013806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).