2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide

C19H16F3N3OS — CID 42944892

IUPAC2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3OS/c1-12(17(26)24-15-10-6-5-9-14(15)19(20,21)22)27-18-23-11-16(25-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyWDXVVLOTKVUIBY-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.21
Rot. Bonds5

About 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42944892) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42944892
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3OS/c1-12(17(26)24-15-10-6-5-9-14(15)19(20,21)22)27-18-23-11-16(25-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyWDXVVLOTKVUIBY-UHFFFAOYSA-N
XLogP5.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 1242345
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 18194225
(2R)-2-[[6-(2-acetamidophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 136776780
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8985827
N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 46825569
2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 136686601
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-tert-butylpropanamide
CID 24500657
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
N-(2-chloro-5-nitrophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 46825626
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 42944892) is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Sc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WDXVVLOTKVUIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-12(17(26)24-15-10-6-5-9-14(15)19(20,21)22)27-18-23-11-16(25-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 391.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42944892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).