N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide

C19H18FN3OS — CID 3489973

IUPACN-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3OS/c1-2-14-3-7-16(8-4-14)22-18(24)13-25-19-21-11-12-23(19)17-9-5-15(20)6-10-17/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyRNRIXSCSDSNPMP-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.30
Rot. Bonds6

About N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide

N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3489973) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3489973
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3OS/c1-2-14-3-7-16(8-4-14)22-18(24)13-25-19-21-11-12-23(19)17-9-5-15(20)6-10-17/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyRNRIXSCSDSNPMP-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cbs-3595
CID 11639342
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-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 2813255
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913
2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
CID 747727
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
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
N-(4-acetylphenyl)-2-{[1-(2-phenylethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 575169

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide (CID 3489973) is N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide is CCc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is RNRIXSCSDSNPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-2-14-3-7-16(8-4-14)22-18(24)13-25-19-21-11-12-23(19)17-9-5-15(20)6-10-17/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 355.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3489973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).