N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide

C16H16F3N3O3S — CID 166241133

IUPACN-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide
SMILESCc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)C1CCCS1(=O)=O
InChIInChI=1S/C16H16F3N3O3S/c1-10-20-6-7-22(10)13-5-4-11(16(17,18)19)9-12(13)21-15(23)14-3-2-8-26(14,24)25/h4-7,9,14H,2-3,8H2,1H3,(H,21,23)
InChIKeyCKWVTUWXFOHOQA-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.72
Rot. Bonds3

About N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide

N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide (PubChem CID 166241133) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide
PubChem CID166241133
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide
SMILESCc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)C1CCCS1(=O)=O
InChIInChI=1S/C16H16F3N3O3S/c1-10-20-6-7-22(10)13-5-4-11(16(17,18)19)9-12(13)21-15(23)14-3-2-8-26(14,24)25/h4-7,9,14H,2-3,8H2,1H3,(H,21,23)
InChIKeyCKWVTUWXFOHOQA-UHFFFAOYSA-N
XLogP2.72
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-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

Related Compounds

cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94639479
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 172916327
(1,1-dioxothian-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757195
ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26725643
(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95287370
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
N-(4-hydroxy-2-methylphenyl)-1,1-dioxothiane-2-carboxamide
CID 104520074
[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid
CID 91169911
2-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 42896639
(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 120639496
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide (CID 166241133) is N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide is Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)C1CCCS1(=O)=O.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide?
The InChIKey is CKWVTUWXFOHOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-10-20-6-7-22(10)13-5-4-11(16(17,18)19)9-12(13)21-15(23)14-3-2-8-26(14,24)25/h4-7,9,14H,2-3,8H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide?
N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-2-carboxamide is sourced from PubChem (CID 166241133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).