N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C18H16FN3O2S — CID 3669736

IUPACN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2S/c1-24-14-6-4-5-13(11-14)22-10-9-20-18(22)25-12-17(23)21-16-8-3-2-7-15(16)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyTXMDOVCPYYQJAW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds6

About N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3669736) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3669736
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2S/c1-24-14-6-4-5-13(11-14)22-10-9-20-18(22)25-12-17(23)21-16-8-3-2-7-15(16)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyTXMDOVCPYYQJAW-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 709685
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N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
CID 2914863
1-[3-(1H-imidazol-1-yl)propyl]-3-(3-methoxyphenyl)thiourea
CID 2910461
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
CID 4070617
2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 4612901
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6462201
N-Cyclopentyl-2-{[1-(2-methoxyphenyl)-1H-imidazol-2-YL]sulfanyl}acetamide
CID 16194301
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
2-[(2,6-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylimidazol-4-amine
CID 118586276
2-benzylsulfanyl-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-N-methylimidazol-4-amine
CID 118586298
2-[5-[(4-Fluoro-phenylamino)-methyl]-4-(3-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 650953

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 3669736) is N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is TXMDOVCPYYQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-24-14-6-4-5-13(11-14)22-10-9-20-18(22)25-12-17(23)21-16-8-3-2-7-15(16)19/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3669736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).