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

C21H22FN3OS — CID 40685052

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCCc2ccc(F)cc2)c1C
InChIInChI=1S/C21H22FN3OS/c1-15-4-3-5-19(16(15)2)25-13-12-24-21(25)27-14-20(26)23-11-10-17-6-8-18(22)9-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,26)
InChIKeyNGGPAOVWVINIIG-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.08
Rot. Bonds7

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

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 40685052) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID40685052
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCCc2ccc(F)cc2)c1C
InChIInChI=1S/C21H22FN3OS/c1-15-4-3-5-19(16(15)2)25-13-12-24-21(25)27-14-20(26)23-11-10-17-6-8-18(22)9-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,26)
InChIKeyNGGPAOVWVINIIG-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30526445
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111463207
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 87043617
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7660850
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 163542444
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-pyridin-3-ylacetamide
CID 39761133
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 40685052) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is Cc1cccc(-n2ccnc2SCC(=O)NCCc2ccc(F)cc2)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NGGPAOVWVINIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3OS/c1-15-4-3-5-19(16(15)2)25-13-12-24-21(25)27-14-20(26)23-11-10-17-6-8-18(22)9-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 40685052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).