2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C19H16F3N3OS — CID 5195700

IUPAC2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c1-13-5-4-6-14(11-13)25-10-9-23-18(25)27-12-17(26)24-16-8-3-2-7-15(16)19(20,21)22/h2-11H,12H2,1H3,(H,24,26)
InChIKeyZZFQJDVBDLYMKG-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.93
Rot. Bonds5

About 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 5195700) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID5195700
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c1-13-5-4-6-14(11-13)25-10-9-23-18(25)27-12-17(26)24-16-8-3-2-7-15(16)19(20,21)22/h2-11H,12H2,1H3,(H,24,26)
InChIKeyZZFQJDVBDLYMKG-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide 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

2-{[1-(2-methylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
CID 4961785
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4132227
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 16033189
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-chloro-2-methylphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4275406
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 5213583
2-((1-(2,5-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 7150916
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16293039

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 5195700) is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZZFQJDVBDLYMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-13-5-4-6-14(11-13)25-10-9-23-18(25)27-12-17(26)24-16-8-3-2-7-15(16)19(20,21)22/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 5195700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).