2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide

C21H22FN3OS — CID 46806678

IUPAC2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3OS/c1-14-10-15(2)12-19(11-14)25-9-8-23-21(25)27-13-20(26)24-16(3)17-4-6-18(22)7-5-17/h4-12,16H,13H2,1-3H3,(H,24,26)
InChIKeyVRHDYJLIFXAUET-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.60
Rot. Bonds6

About 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 46806678) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID46806678
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3OS/c1-14-10-15(2)12-19(11-14)25-9-8-23-21(25)27-13-20(26)24-16(3)17-4-6-18(22)7-5-17/h4-12,16H,13H2,1-3H3,(H,24,26)
InChIKeyVRHDYJLIFXAUET-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791045
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791044
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 24578161
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 4055089
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 41139369
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide
CID 30803081
3-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-propan-2-ylpropanamide
CID 55599705
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18287729
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 51488308
N-(3,4-dichlorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119321
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40664402
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17438584

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 46806678) is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)NC(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is VRHDYJLIFXAUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3OS/c1-14-10-15(2)12-19(11-14)25-9-8-23-21(25)27-13-20(26)24-16(3)17-4-6-18(22)7-5-17/h4-12,16H,13H2,1-3H3,(H,24,26).
What are the key properties of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 46806678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).