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

C15H16F3N3O3S — CID 2962137

IUPACN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccs1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)14(19-11(22)10-7-4-8-25-10)12(23)21(13(24)20-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)(H,20,24)
InChIKeyDNOCCNKQRHBONF-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.62
Rot. Bonds3

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

N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (PubChem CID 2962137) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
PubChem CID2962137
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccs1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)14(19-11(22)10-7-4-8-25-10)12(23)21(13(24)20-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)(H,20,24)
InChIKeyDNOCCNKQRHBONF-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.62
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

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 3245898
N-(1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl)thiophene-2-carboxamide
CID 662714
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
CID 8933620
N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-thiophenecarboxamide
CID 685023
N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 3235944
3-[2-Oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8522790
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 18084095
Pyrrolidine-1,2-dicarboxylic acid 1-cyclohexylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 654456
(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2536164
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 2962322
3-[(4-Fluorophenyl)methyl]-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109453
N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thiophene-2-carboxamide
CID 42281640

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (CID 2962137) is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccs1.
What is the InChIKey of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The InChIKey is DNOCCNKQRHBONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c16-15(17,18)14(19-11(22)10-7-4-8-25-10)12(23)21(13(24)20-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)(H,20,24).
What are the key properties of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide has a molecular weight of 375.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2962137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).