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

C22H22FN3OS — CID 16589309

IUPACN-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
SMILESCc1cccc(-n2ccnc2SC(C(=O)NC2CC2)c2ccc(F)cc2)c1C
InChIInChI=1S/C22H22FN3OS/c1-14-4-3-5-19(15(14)2)26-13-12-24-22(26)28-20(21(27)25-18-10-11-18)16-6-8-17(23)9-7-16/h3-9,12-13,18,20H,10-11H2,1-2H3,(H,25,27)
InChIKeyHDAVKNHIBVOAGS-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.74
Rot. Bonds6

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

N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide (PubChem CID 16589309) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
PubChem CID16589309
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC NameN-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
SMILESCc1cccc(-n2ccnc2SC(C(=O)NC2CC2)c2ccc(F)cc2)c1C
InChIInChI=1S/C22H22FN3OS/c1-14-4-3-5-19(15(14)2)26-13-12-24-22(26)28-20(21(27)25-18-10-11-18)16-6-8-17(23)9-7-16/h3-9,12-13,18,20H,10-11H2,1-2H3,(H,25,27)
InChIKeyHDAVKNHIBVOAGS-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40790131
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 41433682
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 17443709
(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
CID 40654553
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40790129
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide (CID 16589309) is N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide is Cc1cccc(-n2ccnc2SC(C(=O)NC2CC2)c2ccc(F)cc2)c1C.
What is the InChIKey of N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide?
The InChIKey is HDAVKNHIBVOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c1-14-4-3-5-19(15(14)2)26-13-12-24-22(26)28-20(21(27)25-18-10-11-18)16-6-8-17(23)9-7-16/h3-9,12-13,18,20H,10-11H2,1-2H3,(H,25,27).
What are the key properties of N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide?
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16589309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).