N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C20H20FN3O2S — CID 41472985

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C20H20FN3O2S/c1-14-6-7-15(10-18(14)21)12-23-19(25)13-27-20-22-8-9-24(20)16-4-3-5-17(11-16)26-2/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyPKTBRLRGFMYHHL-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.74
Rot. Bonds7

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 41472985) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID41472985
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C20H20FN3O2S/c1-14-6-7-15(10-18(14)21)12-23-19(25)13-27-20-22-8-9-24(20)16-4-3-5-17(11-16)26-2/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyPKTBRLRGFMYHHL-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40665339
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42310783
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 17435052
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 55883837
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
CID 18164735
N-benzyl-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941994
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 37283897

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 41472985) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1cccc(-n2ccnc2SCC(=O)NCc2ccc(C)c(F)c2)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is PKTBRLRGFMYHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-14-6-7-15(10-18(14)21)12-23-19(25)13-27-20-22-8-9-24(20)16-4-3-5-17(11-16)26-2/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 385.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 41472985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).